3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine

C243H152Br2F27N13O3S2 — CID 160909998

IUPAC3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(C(F)(F)F)cc2-c2cc(C#N)ccc2N2c3ccccc3S(=O)(=O)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(Br)ccc32)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)c1.FC(F)(F)c1ccc(N2c3ccccc3Oc3ccccc32)c(-c2cc(C(F)(F)F)ccc2N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C70H48F6N4.C56H34F6N2.C41H28F3N3O2S.C38H20Br2F6N2.C38H22F6N2OS/c1-45-23-33-65-59(39-45)61-43-55(77(51-15-7-3-8-16-51)52-17-9-4-10-18-52)31-37-67(61)79(65)63-35-29-49(69(71,72)73)41-57(63)47-25-27-48(28-26-47)58-42-50(70(74,75)76)30-36-64(58)80-66-34-24-46(2)40-60(66)62-44-56(32-38-68(62)80)78(53-19-11-5-12-20-53)54-21-13-6-14-22-54;57-55(58,59)41-25-29-51(63-49-17-9-7-15-43(49)44-16-8-10-18-50(44)63)45(33-41)37-19-21-38(22-20-37)46-34-42(56(60,61)62)26-30-52(46)64-53-27-23-39(35-11-3-1-4-12-35)31-47(53)48-32-40(24-28-54(48)64)36-13-5-2-6-14-36;1-40(2)30-11-3-5-13-34(30)46(35-14-6-4-12-31(35)40)33-22-20-27(41(42,43)44)24-29(33)28-23-26(25-45)19-21-32(28)47-36-15-7-9-17-38(36)50(48,49)39-18-10-8-16-37(39)47;39-23-11-15-35-29(19-23)25-5-1-3-7-31(25)47(35)33-13-9-21(37(41,42)43)17-27(33)28-18-22(38(44,45)46)10-14-34(28)48-32-8-4-2-6-26(32)30-20-24(40)12-16-36(30)48;39-37(40,41)23-17-19-27(45-29-9-1-5-13-33(29)47-34-14-6-2-10-30(34)45)25(21-23)26-22-24(38(42,43)44)18-20-28(26)46-31-11-3-7-15-35(31)48-36-16-8-4-12-32(36)46/h3-44H,1-2H3;1-34H;3-24H,1-2H3;1-20H;1-22H
InChIKeySQQOGMQDSLYODG-UHFFFAOYSA-N
MW4038.86 g/mol
LogP74.38
Rot. Bonds25

About 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine

3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine (PubChem CID 160909998) has the molecular formula C243H152Br2F27N13O3S2 and a molecular weight of 4038.86 g/mol. Its IUPAC name is 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine
PubChem CID160909998
Molecular FormulaC243H152Br2F27N13O3S2
Molecular Weight4038.86 g/mol
Exact Mass4033.95
IUPAC Name3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(C(F)(F)F)cc2-c2cc(C#N)ccc2N2c3ccccc3S(=O)(=O)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(Br)ccc32)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)c1.FC(F)(F)c1ccc(N2c3ccccc3Oc3ccccc32)c(-c2cc(C(F)(F)F)ccc2N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C70H48F6N4.C56H34F6N2.C41H28F3N3O2S.C38H20Br2F6N2.C38H22F6N2OS/c1-45-23-33-65-59(39-45)61-43-55(77(51-15-7-3-8-16-51)52-17-9-4-10-18-52)31-37-67(61)79(65)63-35-29-49(69(71,72)73)41-57(63)47-25-27-48(28-26-47)58-42-50(70(74,75)76)30-36-64(58)80-66-34-24-46(2)40-60(66)62-44-56(32-38-68(62)80)78(53-19-11-5-12-20-53)54-21-13-6-14-22-54;57-55(58,59)41-25-29-51(63-49-17-9-7-15-43(49)44-16-8-10-18-50(44)63)45(33-41)37-19-21-38(22-20-37)46-34-42(56(60,61)62)26-30-52(46)64-53-27-23-39(35-11-3-1-4-12-35)31-47(53)48-32-40(24-28-54(48)64)36-13-5-2-6-14-36;1-40(2)30-11-3-5-13-34(30)46(35-14-6-4-12-31(35)40)33-22-20-27(41(42,43)44)24-29(33)28-23-26(25-45)19-21-32(28)47-36-15-7-9-17-38(36)50(48,49)39-18-10-8-16-37(39)47;39-23-11-15-35-29(19-23)25-5-1-3-7-31(25)47(35)33-13-9-21(37(41,42)43)17-27(33)28-18-22(38(44,45)46)10-14-34(28)48-32-8-4-2-6-26(32)30-20-24(40)12-16-36(30)48;39-37(40,41)23-17-19-27(45-29-9-1-5-13-33(29)47-34-14-6-2-10-30(34)45)25(21-23)26-22-24(38(42,43)44)18-20-28(26)46-31-11-3-7-15-35(31)48-36-16-8-4-12-32(36)46/h3-44H,1-2H3;1-34H;3-24H,1-2H3;1-20H;1-22H
InChIKeySQQOGMQDSLYODG-UHFFFAOYSA-N
XLogP74.38
TPSA116.18 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004038.86
LogP ≤ 574.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine with MolForge

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Related Compounds

9-[2-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole;3,6-dibromo-9-[2-[2-(3,6-dibromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]carbazole;10-[2-[4-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-9,9-dimethylacridine;10-[2-[2,5-dimethyl-4-[2-phenoxazin-10-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]phenoxazine
CID 158005509
4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
CID 130440793
4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
CID 135128753
3-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 159604843
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-[1]benzofuro[2,3-b]carbazole;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-9,9-dimethylacridine;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-5,5-dimethylphenothiazine;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]phenothiazine;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]phenoxazine
CID 164970603
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138500010
4-[N-(9,9-dimethylxanthen-3-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 126681162
4-[3-(2-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 164743997
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis(4-carbazol-9-ylphenyl)-2-isocyano-3,6-diphenylbenzonitrile;2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyano-3,6-diphenylbenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)-4,5-diphenylbenzonitrile;2-isocyano-4,5-bis(4-phenoxazin-10-ylphenyl)-3,6-diphenylbenzonitrile;2-isocyano-3,6-diphenyl-4,5-bis[4-(N-phenylanilino)phenyl]benzonitrile
CID 158326808
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis(4-carbazol-9-ylphenyl)-2-isocyano-3,6-diphenylbenzonitrile;2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-6-isocyano-3,4-diphenylbenzonitrile;4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2-isocyano-3,6-diphenylbenzonitrile;2-isocyano-3,6-bis(4-phenoxazin-10-ylphenyl)-4,5-diphenylbenzonitrile;2-isocyano-3,4,5,6-tetrakis[4-(N-phenylanilino)phenyl]benzonitrile
CID 158436326
9,9-dimethyl-10-phenyl-2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]acridine;10-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenoxazine;10-phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 161400773
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine (CID 160909998) is 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine is CC1(C)c2ccccc2N(c2ccc(C(F)(F)F)cc2-c2cc(C#N)ccc2N2c3ccccc3S(=O)(=O)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(Br)ccc32)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)c1.FC(F)(F)c1ccc(N2c3ccccc3Oc3ccccc32)c(-c2cc(C(F)(F)F)ccc2N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is SQQOGMQDSLYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48F6N4.C56H34F6N2.C41H28F3N3O2S.C38H20Br2F6N2.C38H22F6N2OS/c1-45-23-33-65-59(39-45)61-43-55(77(51-15-7-3-8-16-51)52-17-9-4-10-18-52)31-37-67(61)79(65)63-35-29-49(69(71,72)73)41-57(63)47-25-27-48(28-26-47)58-42-50(70(74,75)76)30-36-64(58)80-66-34-24-46(2)40-60(66)62-44-56(32-38-68(62)80)78(53-19-11-5-12-20-53)54-21-13-6-14-22-54;57-55(58,59)41-25-29-51(63-49-17-9-7-15-43(49)44-16-8-10-18-50(44)63)45(33-41)37-19-21-38(22-20-37)46-34-42(56(60,61)62)26-30-52(46)64-53-27-23-39(35-11-3-1-4-12-35)31-47(53)48-32-40(24-28-54(48)64)36-13-5-2-6-14-36;1-40(2)30-11-3-5-13-34(30)46(35-14-6-4-12-31(35)40)33-22-20-27(41(42,43)44)24-29(33)28-23-26(25-45)19-21-32(28)47-36-15-7-9-17-38(36)50(48,49)39-18-10-8-16-37(39)47;39-23-11-15-35-29(19-23)25-5-1-3-7-31(25)47(35)33-13-9-21(37(41,42)43)17-27(33)28-18-22(38(44,45)46)10-14-34(28)48-32-8-4-2-6-26(32)30-20-24(40)12-16-36(30)48;39-37(40,41)23-17-19-27(45-29-9-1-5-13-33(29)47-34-14-6-2-10-30(34)45)25(21-23)26-22-24(38(42,43)44)18-20-28(26)46-31-11-3-7-15-35(31)48-36-16-8-4-12-32(36)46/h3-44H,1-2H3;1-34H;3-24H,1-2H3;1-20H;1-22H.
What are the key properties of 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine?
3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 4038.86 g/mol, XLogP of 74.38, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[2-[2-(3-bromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]-4-(5,5-dioxophenothiazin-10-yl)benzonitrile;6-methyl-9-[2-[4-[2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-N,N-diphenylcarbazol-3-amine;10-[2-[2-phenothiazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 160909998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).