9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine

C347H282N18OS — CID 161429517

IUPAC9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
SMILESCCCCc1ccc(N(c2ccccc2)c2c(N(c3ccccc3)c3ccc(CCCC)cc3)c3ccccc3c3ccccc23)cc1.Cc1cccc(N(c2ccc(C3(c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c4ccccc4-c4ccccc43)cc2)c2cccc(C)c2)c1.Cc1cccc(N(c2cccc(C)c2)c2c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2)c2c(N(c3ccccc3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c4ccccc4-c4ccccc43)cc2)c1.Nc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Nc1ccc(N2c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C61H44N2.C53H44N2.C51H40N2.C46H44N2.C42H36N2.C40H32N2.C18H14N2O.C18H14N2S.C18H14N2/c1-5-17-45(18-6-1)47-29-37-53(38-30-47)62(51-21-9-3-10-22-51)55-41-33-49(34-42-55)61(59-27-15-13-25-57(59)58-26-14-16-28-60(58)61)50-35-43-56(44-36-50)63(52-23-11-4-12-24-52)54-39-31-48(32-40-54)46-19-7-2-8-20-46;1-37-13-9-17-45(33-37)54(46-18-10-14-38(2)34-46)43-29-25-41(26-30-43)53(51-23-7-5-21-49(51)50-22-6-8-24-52(50)53)42-27-31-44(32-28-42)55(47-19-11-15-39(3)35-47)48-20-12-16-40(4)36-48;1-37-15-13-21-45(35-37)52(41-17-5-3-6-18-41)43-31-27-39(28-32-43)51(49-25-11-9-23-47(49)48-24-10-12-26-50(48)51)40-29-33-44(34-30-40)53(42-19-7-4-8-20-42)46-22-14-16-38(2)36-46;1-3-5-17-35-27-31-39(32-28-35)47(37-19-9-7-10-20-37)45-43-25-15-13-23-41(43)42-24-14-16-26-44(42)46(45)48(38-21-11-8-12-22-38)40-33-29-36(30-34-40)18-6-4-2;1-29-13-9-17-33(25-29)43(34-18-10-14-30(2)26-34)41-39-23-7-5-21-37(39)38-22-6-8-24-40(38)42(41)44(35-19-11-15-31(3)27-35)36-20-12-16-32(4)28-36;1-29-15-13-21-33(27-29)41(31-17-5-3-6-18-31)39-37-25-11-9-23-35(37)36-24-10-12-26-38(36)40(39)42(32-19-7-4-8-20-32)34-22-14-16-30(2)28-34;2*19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-44H;5-36H,1-4H3;3-36H,1-2H3;7-16,19-34H,3-6,17-18H2,1-2H3;5-28H,1-4H3;3-28H,1-2H3;2*1-12H,19H2;1-12H,19H2
InChIKeyVXVBFOSRBZVRJO-UHFFFAOYSA-N
MW4752.26 g/mol
LogP95.90
Rot. Bonds53

About 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine

9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine (PubChem CID 161429517) has the molecular formula C347H282N18OS and a molecular weight of 4752.26 g/mol. Its IUPAC name is 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
PubChem CID161429517
Molecular FormulaC347H282N18OS
Molecular Weight4752.26 g/mol
Exact Mass4748.23
IUPAC Name9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
SMILESCCCCc1ccc(N(c2ccccc2)c2c(N(c3ccccc3)c3ccc(CCCC)cc3)c3ccccc3c3ccccc23)cc1.Cc1cccc(N(c2ccc(C3(c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c4ccccc4-c4ccccc43)cc2)c2cccc(C)c2)c1.Cc1cccc(N(c2cccc(C)c2)c2c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2)c2c(N(c3ccccc3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c4ccccc4-c4ccccc43)cc2)c1.Nc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Nc1ccc(N2c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C61H44N2.C53H44N2.C51H40N2.C46H44N2.C42H36N2.C40H32N2.C18H14N2O.C18H14N2S.C18H14N2/c1-5-17-45(18-6-1)47-29-37-53(38-30-47)62(51-21-9-3-10-22-51)55-41-33-49(34-42-55)61(59-27-15-13-25-57(59)58-26-14-16-28-60(58)61)50-35-43-56(44-36-50)63(52-23-11-4-12-24-52)54-39-31-48(32-40-54)46-19-7-2-8-20-46;1-37-13-9-17-45(33-37)54(46-18-10-14-38(2)34-46)43-29-25-41(26-30-43)53(51-23-7-5-21-49(51)50-22-6-8-24-52(50)53)42-27-31-44(32-28-42)55(47-19-11-15-39(3)35-47)48-20-12-16-40(4)36-48;1-37-15-13-21-45(35-37)52(41-17-5-3-6-18-41)43-31-27-39(28-32-43)51(49-25-11-9-23-47(49)48-24-10-12-26-50(48)51)40-29-33-44(34-30-40)53(42-19-7-4-8-20-42)46-22-14-16-38(2)36-46;1-3-5-17-35-27-31-39(32-28-35)47(37-19-9-7-10-20-37)45-43-25-15-13-23-41(43)42-24-14-16-26-44(42)46(45)48(38-21-11-8-12-22-38)40-33-29-36(30-34-40)18-6-4-2;1-29-13-9-17-33(25-29)43(34-18-10-14-30(2)26-34)41-39-23-7-5-21-37(39)38-22-6-8-24-40(38)42(41)44(35-19-11-15-31(3)27-35)36-20-12-16-32(4)28-36;1-29-15-13-21-33(27-29)41(31-17-5-3-6-18-31)39-37-25-11-9-23-35(37)36-24-10-12-26-38(36)40(39)42(32-19-7-4-8-20-32)34-22-14-16-30(2)28-34;2*19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-44H;5-36H,1-4H3;3-36H,1-2H3;7-16,19-34H,3-6,17-18H2,1-2H3;5-28H,1-4H3;3-28H,1-2H3;2*1-12H,19H2;1-12H,19H2
InChIKeyVXVBFOSRBZVRJO-UHFFFAOYSA-N
XLogP95.90
TPSA137.58 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds53
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004752.26
LogP ≤ 595.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine with MolForge

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Related Compounds

N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
9,9-diphenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-trimethylsilylphenyl)phenyl]aniline
CID 161399482
N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610
9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;3,6-dibutyl-9-[9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-6-(3,6-dibutylcarbazol-9-yl)carbazol-3-yl]carbazole;4-[4-[N-[4-(2,7-dimethyl-9-phenylfluoren-9-yl)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 160709397
16-(4-butylphenyl)-12,12,20,20-tetrakis(4-hexylphenyl)-2-oxa-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 58370968
4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline
CID 67563877
N-[4-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[2-[3-[9-(4-methylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-N,4-diphenylaniline;7'-[9-(4-methylphenyl)carbazol-3-yl]-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;7-[9-(4-methylphenyl)carbazol-3-yl]-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160565250
N-(4-carbazol-9-ylphenyl)-N-phenyl-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 169292999
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
9-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]carbazole;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenothiazine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenoxazine;N-naphthalen-1-yl-5',5'-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 158429317
9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 122524701

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine (CID 161429517) is 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine is CCCCc1ccc(N(c2ccccc2)c2c(N(c3ccccc3)c3ccc(CCCC)cc3)c3ccccc3c3ccccc23)cc1.Cc1cccc(N(c2ccc(C3(c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c4ccccc4-c4ccccc43)cc2)c2cccc(C)c2)c1.Cc1cccc(N(c2cccc(C)c2)c2c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2)c2c(N(c3ccccc3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c4ccccc4-c4ccccc43)cc2)c1.Nc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Nc1ccc(N2c3ccccc3Sc3ccccc32)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
The InChIKey is VXVBFOSRBZVRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2.C53H44N2.C51H40N2.C46H44N2.C42H36N2.C40H32N2.C18H14N2O.C18H14N2S.C18H14N2/c1-5-17-45(18-6-1)47-29-37-53(38-30-47)62(51-21-9-3-10-22-51)55-41-33-49(34-42-55)61(59-27-15-13-25-57(59)58-26-14-16-28-60(58)61)50-35-43-56(44-36-50)63(52-23-11-4-12-24-52)54-39-31-48(32-40-54)46-19-7-2-8-20-46;1-37-13-9-17-45(33-37)54(46-18-10-14-38(2)34-46)43-29-25-41(26-30-43)53(51-23-7-5-21-49(51)50-22-6-8-24-52(50)53)42-27-31-44(32-28-42)55(47-19-11-15-39(3)35-47)48-20-12-16-40(4)36-48;1-37-15-13-21-45(35-37)52(41-17-5-3-6-18-41)43-31-27-39(28-32-43)51(49-25-11-9-23-47(49)48-24-10-12-26-50(48)51)40-29-33-44(34-30-40)53(42-19-7-4-8-20-42)46-22-14-16-38(2)36-46;1-3-5-17-35-27-31-39(32-28-35)47(37-19-9-7-10-20-37)45-43-25-15-13-23-41(43)42-24-14-16-26-44(42)46(45)48(38-21-11-8-12-22-38)40-33-29-36(30-34-40)18-6-4-2;1-29-13-9-17-33(25-29)43(34-18-10-14-30(2)26-34)41-39-23-7-5-21-37(39)38-22-6-8-24-40(38)42(41)44(35-19-11-15-31(3)27-35)36-20-12-16-32(4)28-36;1-29-15-13-21-33(27-29)41(31-17-5-3-6-18-31)39-37-25-11-9-23-35(37)36-24-10-12-26-38(36)40(39)42(32-19-7-4-8-20-32)34-22-14-16-30(2)28-34;2*19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-44H;5-36H,1-4H3;3-36H,1-2H3;7-16,19-34H,3-6,17-18H2,1-2H3;5-28H,1-4H3;3-28H,1-2H3;2*1-12H,19H2;1-12H,19H2.
What are the key properties of 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine has a molecular weight of 4752.26 g/mol, XLogP of 95.90, 53 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine;4-carbazol-9-ylaniline;N,4-diphenyl-N-[4-[9-[4-(N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]aniline;3-methyl-N-[4-[9-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-(3-methylphenyl)aniline;3-methyl-N-[4-[9-[4-(N-(3-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-N-phenylaniline;4-phenothiazin-10-ylaniline;4-phenoxazin-10-ylaniline;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine is sourced from PubChem (CID 161429517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).