3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine

C54H41N3O2 — CID 139573043

IUPAC3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCOc1ccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1
InChIInChI=1S/C54H41N3O2/c1-58-49-29-24-44(25-30-49)55(42-14-8-4-9-15-42)47-23-20-40-35-52-51-33-28-48(56(43-16-10-5-11-17-43)45-26-31-50(59-2)32-27-45)37-54(51)57(53(52)36-41(40)34-47)46-21-18-39(19-22-46)38-12-6-3-7-13-38/h3-37H,1-2H3
InChIKeyIIHFJAXKTVUUCA-UHFFFAOYSA-N
MW763.94 g/mol
LogP14.56
Rot. Bonds10

About 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine

3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine (PubChem CID 139573043) has the molecular formula C54H41N3O2 and a molecular weight of 763.94 g/mol. Its IUPAC name is 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine.

Molecular Properties

Compound Name3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
PubChem CID139573043
Molecular FormulaC54H41N3O2
Molecular Weight763.94 g/mol
Exact Mass763.32
IUPAC Name3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCOc1ccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1
InChIInChI=1S/C54H41N3O2/c1-58-49-29-24-44(25-30-49)55(42-14-8-4-9-15-42)47-23-20-40-35-52-51-33-28-48(56(43-16-10-5-11-17-43)45-26-31-50(59-2)32-27-45)37-54(51)57(53(52)36-41(40)34-47)46-21-18-39(19-22-46)38-12-6-3-7-13-38/h3-37H,1-2H3
InChIKeyIIHFJAXKTVUUCA-UHFFFAOYSA-N
XLogP14.56
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573036
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157300261
N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493
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

Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The IUPAC name of 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine (CID 139573043) is 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine is COc1ccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5n(-c5ccc(-c6ccccc6)cc5)c4cc3c2)cc1.
What is the InChIKey of 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The InChIKey is IIHFJAXKTVUUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3O2/c1-58-49-29-24-44(25-30-49)55(42-14-8-4-9-15-42)47-23-20-40-35-52-51-33-28-48(56(43-16-10-5-11-17-43)45-26-31-50(59-2)32-27-45)37-54(51)57(53(52)36-41(40)34-47)46-21-18-39(19-22-46)38-12-6-3-7-13-38/h3-37H,1-2H3.
What are the key properties of 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine?
3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine has a molecular weight of 763.94 g/mol, XLogP of 14.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 139573043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).