4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline

C68H45N3 — CID 146250921

IUPAC4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(Nc6ccc(-c7ccc8c(c7)c7cc9ccccc9cc7n8-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C68H45N3/c1-3-11-45(12-4-1)47-23-33-59(34-24-47)70-65-37-27-55(41-61(65)63-39-51-15-7-9-17-53(51)43-67(63)70)49-19-29-57(30-20-49)69-58-31-21-50(22-32-58)56-28-38-66-62(42-56)64-40-52-16-8-10-18-54(52)44-68(64)71(66)60-35-25-48(26-36-60)46-13-5-2-6-14-46/h1-44,69H
InChIKeyPZOPVAFBQCYDHE-UHFFFAOYSA-N
MW904.13 g/mol
LogP18.60
Rot. Bonds8

About 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline

4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline (PubChem CID 146250921) has the molecular formula C68H45N3 and a molecular weight of 904.13 g/mol. Its IUPAC name is 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline
PubChem CID146250921
Molecular FormulaC68H45N3
Molecular Weight904.13 g/mol
Exact Mass903.36
IUPAC Name4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(Nc6ccc(-c7ccc8c(c7)c7cc9ccccc9cc7n8-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C68H45N3/c1-3-11-45(12-4-1)47-23-33-59(34-24-47)70-65-37-27-55(41-61(65)63-39-51-15-7-9-17-53(51)43-67(63)70)49-19-29-57(30-20-49)69-58-31-21-50(22-32-58)56-28-38-66-62(42-56)64-40-52-16-8-10-18-54(52)44-68(64)71(66)60-35-25-48(26-36-60)46-13-5-2-6-14-46/h1-44,69H
InChIKeyPZOPVAFBQCYDHE-UHFFFAOYSA-N
XLogP18.60
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.13
LogP ≤ 518.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 59372433
benzene;N-methyl-4-(5-phenylbenzo[b]carbazol-3-yl)aniline
CID 144919829
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline?
The IUPAC name of 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline (CID 146250921) is 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline?
The canonical SMILES for 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(Nc6ccc(-c7ccc8c(c7)c7cc9ccccc9cc7n8-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline?
The InChIKey is PZOPVAFBQCYDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3/c1-3-11-45(12-4-1)47-23-33-59(34-24-47)70-65-37-27-55(41-61(65)63-39-51-15-7-9-17-53(51)43-67(63)70)49-19-29-57(30-20-49)69-58-31-21-50(22-32-58)56-28-38-66-62(42-56)64-40-52-16-8-10-18-54(52)44-68(64)71(66)60-35-25-48(26-36-60)46-13-5-2-6-14-46/h1-44,69H.
What are the key properties of 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline?
4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline has a molecular weight of 904.13 g/mol, XLogP of 18.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline is sourced from PubChem (CID 146250921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).