5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine

C64H61N3 — CID 139573036

IUPAC5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1
InChIInChI=1S/C64H61N3/c1-42(2)46-14-25-54(26-15-46)65(55-27-16-47(17-28-55)43(3)4)59-35-24-52-39-62-61-37-36-60(66(56-29-18-48(19-30-56)44(5)6)57-31-20-49(21-32-57)45(7)8)41-64(61)67(63(62)40-53(52)38-59)58-33-22-51(23-34-58)50-12-10-9-11-13-50/h9-45H,1-8H3
InChIKeyNLKFDMANCLOANJ-UHFFFAOYSA-N
MW872.21 g/mol
LogP19.04
Rot. Bonds12

About 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine

5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine (PubChem CID 139573036) has the molecular formula C64H61N3 and a molecular weight of 872.21 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine.

Molecular Properties

Compound Name5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine
PubChem CID139573036
Molecular FormulaC64H61N3
Molecular Weight872.21 g/mol
Exact Mass871.49
IUPAC Name5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1
InChIInChI=1S/C64H61N3/c1-42(2)46-14-25-54(26-15-46)65(55-27-16-47(17-28-55)43(3)4)59-35-24-52-39-62-61-37-36-60(66(56-29-18-48(19-30-56)44(5)6)57-31-20-49(21-32-57)45(7)8)41-64(61)67(63(62)40-53(52)38-59)58-33-22-51(23-34-58)50-12-10-9-11-13-50/h9-45H,1-8H3
InChIKeyNLKFDMANCLOANJ-UHFFFAOYSA-N
XLogP19.04
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.21
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573043
3-carbazol-9-yl-N,N-bis(4-phenylphenyl)aniline;3-carbazol-9-yl-N,N-diphenylaniline;4-carbazol-9-yl-N,N-diphenylaniline;N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 162023531
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine?
The IUPAC name of 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine (CID 139573036) is 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine?
The canonical SMILES for 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c5ccc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine?
The InChIKey is NLKFDMANCLOANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N3/c1-42(2)46-14-25-54(26-15-46)65(55-27-16-47(17-28-55)43(3)4)59-35-24-52-39-62-61-37-36-60(66(56-29-18-48(19-30-56)44(5)6)57-31-20-49(21-32-57)45(7)8)41-64(61)67(63(62)40-53(52)38-59)58-33-22-51(23-34-58)50-12-10-9-11-13-50/h9-45H,1-8H3.
What are the key properties of 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine?
5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine has a molecular weight of 872.21 g/mol, XLogP of 19.04, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 139573036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).