2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline

C102H71N5 — CID 168840497

IUPAC2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline
SMILESNc1c(-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cccc1-c1cc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C102H71N5/c103-102-90(80-64-84(68-86(66-80)106-98-54-27-21-46-92(98)93-47-22-28-55-99(93)106)104(96-52-25-19-44-88(96)74-40-15-5-16-41-74)82-60-76(70-32-7-1-8-33-70)58-77(61-82)71-34-9-2-10-35-71)50-31-51-91(102)81-65-85(69-87(67-81)107-100-56-29-23-48-94(100)95-49-24-30-57-101(95)107)105(97-53-26-20-45-89(97)75-42-17-6-18-43-75)83-62-78(72-36-11-3-12-37-72)59-79(63-83)73-38-13-4-14-39-73/h1-69H,103H2
InChIKeyGMAOMQDHMRBMAN-UHFFFAOYSA-N
MW1366.73 g/mol
LogP27.74
Rot. Bonds16

About 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline

2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline (PubChem CID 168840497) has the molecular formula C102H71N5 and a molecular weight of 1366.73 g/mol. Its IUPAC name is 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline.

Molecular Properties

Compound Name2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline
PubChem CID168840497
Molecular FormulaC102H71N5
Molecular Weight1366.73 g/mol
Exact Mass1365.57
IUPAC Name2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline
SMILESNc1c(-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cccc1-c1cc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C102H71N5/c103-102-90(80-64-84(68-86(66-80)106-98-54-27-21-46-92(98)93-47-22-28-55-99(93)106)104(96-52-25-19-44-88(96)74-40-15-5-16-41-74)82-60-76(70-32-7-1-8-33-70)58-77(61-82)71-34-9-2-10-35-71)50-31-51-91(102)81-65-85(69-87(67-81)107-100-56-29-23-48-94(100)95-49-24-30-57-101(95)107)105(97-53-26-20-45-89(97)75-42-17-6-18-43-75)83-62-78(72-36-11-3-12-37-72)59-79(63-83)73-38-13-4-14-39-73/h1-69H,103H2
InChIKeyGMAOMQDHMRBMAN-UHFFFAOYSA-N
XLogP27.74
TPSA42.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001366.73
LogP ≤ 527.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170271814
5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 177279545
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 144888414
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline?
The IUPAC name of 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline (CID 168840497) is 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline.
What is the SMILES notation for 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline?
The canonical SMILES for 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline is Nc1c(-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cccc1-c1cc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline?
The InChIKey is GMAOMQDHMRBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H71N5/c103-102-90(80-64-84(68-86(66-80)106-98-54-27-21-46-92(98)93-47-22-28-55-99(93)106)104(96-52-25-19-44-88(96)74-40-15-5-16-41-74)82-60-76(70-32-7-1-8-33-70)58-77(61-82)71-34-9-2-10-35-71)50-31-51-91(102)81-65-85(69-87(67-81)107-100-56-29-23-48-94(100)95-49-24-30-57-101(95)107)105(97-53-26-20-45-89(97)75-42-17-6-18-43-75)83-62-78(72-36-11-3-12-37-72)59-79(63-83)73-38-13-4-14-39-73/h1-69H,103H2.
What are the key properties of 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline?
2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline has a molecular weight of 1366.73 g/mol, XLogP of 27.74, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-carbazol-9-yl-5-(N-(3,5-diphenylphenyl)-2-phenylanilino)phenyl]aniline is sourced from PubChem (CID 168840497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).