9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol

C48H34N2O8 — CID 170225973

IUPAC9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(c1O)c1c(O)c(O)c(O)c(O)c1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C48H34N2O8/c51-41-37-38-40(44(54)48(58)46(56)42(38)52)50(39(37)43(53)47(57)45(41)55)36-13-7-12-32(26-36)31-18-24-35(25-19-31)49(33-20-14-29(15-21-33)27-8-3-1-4-9-27)34-22-16-30(17-23-34)28-10-5-2-6-11-28/h1-26,51-58H
InChIKeyTUWYAZPCEVMXES-UHFFFAOYSA-N
MW766.81 g/mol
LogP10.90
Rot. Bonds7

About 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol

9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol (PubChem CID 170225973) has the molecular formula C48H34N2O8 and a molecular weight of 766.81 g/mol. Its IUPAC name is 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol
PubChem CID170225973
Molecular FormulaC48H34N2O8
Molecular Weight766.81 g/mol
Exact Mass766.23
IUPAC Name9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(c1O)c1c(O)c(O)c(O)c(O)c1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C48H34N2O8/c51-41-37-38-40(44(54)48(58)46(56)42(38)52)50(39(37)43(53)47(57)45(41)55)36-13-7-12-32(26-36)31-18-24-35(25-19-31)49(33-20-14-29(15-21-33)27-8-3-1-4-9-27)34-22-16-30(17-23-34)28-10-5-2-6-11-28/h1-26,51-58H
InChIKeyTUWYAZPCEVMXES-UHFFFAOYSA-N
XLogP10.90
TPSA170.01 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.81
LogP ≤ 510.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
CID 170105407
9-[3-(4-phenylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
CID 170105463
7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol
CID 170414513
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol (CID 170225973) is 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(c1O)c1c(O)c(O)c(O)c(O)c1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol?
The InChIKey is TUWYAZPCEVMXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O8/c51-41-37-38-40(44(54)48(58)46(56)42(38)52)50(39(37)43(53)47(57)45(41)55)36-13-7-12-32(26-36)31-18-24-35(25-19-31)49(33-20-14-29(15-21-33)27-8-3-1-4-9-27)34-22-16-30(17-23-34)28-10-5-2-6-11-28/h1-26,51-58H.
What are the key properties of 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol?
9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol has a molecular weight of 766.81 g/mol, XLogP of 10.90, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 170225973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).