N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene

C137H100F3N11O3P2 — CID 158714347

IUPACN-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC2C=CC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.Cc1cc(C2=NC3=NC(c4ccc(F)c(C)c4)=NC4=NC(c5ccc(F)c(C)c5)=NC(=N2)N34)ccc1F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H34N2.C36H28O3P2.C30H20N2.C27H18F3N7/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-13-10-16(4-7-19(13)28)22-31-25-33-23(17-5-8-20(29)14(2)11-17)35-27-36-24(34-26(32-22)37(25)27)18-6-9-21(30)15(3)12-18/h1-32,35,41H;1-28H;1-20H;4-12H,1-3H3
InChIKeyIJCVKZFLTYFJBP-UHFFFAOYSA-N
MW2067.32 g/mol
LogP31.65
Rot. Bonds20

About N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene

N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene (PubChem CID 158714347) has the molecular formula C137H100F3N11O3P2 and a molecular weight of 2067.32 g/mol. Its IUPAC name is N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound NameN-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
PubChem CID158714347
Molecular FormulaC137H100F3N11O3P2
Molecular Weight2067.32 g/mol
Exact Mass2065.74
IUPAC NameN-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC2C=CC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.Cc1cc(C2=NC3=NC(c4ccc(F)c(C)c4)=NC4=NC(c5ccc(F)c(C)c5)=NC(=N2)N34)ccc1F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H34N2.C36H28O3P2.C30H20N2.C27H18F3N7/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-13-10-16(4-7-19(13)28)22-31-25-33-23(17-5-8-20(29)14(2)11-17)35-27-36-24(34-26(32-22)37(25)27)18-6-9-21(30)15(3)12-18/h1-32,35,41H;1-28H;1-20H;4-12H,1-3H3
InChIKeyIJCVKZFLTYFJBP-UHFFFAOYSA-N
XLogP31.65
TPSA137.11 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.32
LogP ≤ 531.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene with MolForge

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Related Compounds

CID 160863046
CID 160863046
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(3-carbazol-9-ylphenyl)carbazole;(4-diphenylphosphorylphenyl)-triphenylsilane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159029403
N-[4-[4-[2-diphenylphosphoryl-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenoxy]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 122393095
[9-(4-tert-butylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(3-carbazol-9-ylphenyl)carbazole;(4-diphenylphosphorylphenyl)-triphenylsilane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 158486626
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)amino]phenyl]phenyl]-9-phenylcarbazol-3-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 165019490
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;deuterio(tritio)phosphane;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;methane;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159612768
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene (CID 158714347) is N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene is C1=CC2C=CC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)C2C=C1.Cc1cc(C2=NC3=NC(c4ccc(F)c(C)c4)=NC4=NC(c5ccc(F)c(C)c5)=NC(=N2)N34)ccc1F.O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
The InChIKey is IJCVKZFLTYFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2.C36H28O3P2.C30H20N2.C27H18F3N7/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-13-10-16(4-7-19(13)28)22-31-25-33-23(17-5-8-20(29)14(2)11-17)35-27-36-24(34-26(32-22)37(25)27)18-6-9-21(30)15(3)12-18/h1-32,35,41H;1-28H;1-20H;4-12H,1-3H3.
What are the key properties of N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene?
N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene has a molecular weight of 2067.32 g/mol, XLogP of 31.65, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(4a,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-(3-carbazol-9-ylphenyl)carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 158714347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).