N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine

C40H28N2 — CID 166847645

IUPACN,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H28N2/c1-4-12-29(13-5-1)30-20-23-35(24-21-30)41(33-14-6-2-7-15-33)36-25-22-31-28-40-38(27-32(31)26-36)37-18-10-11-19-39(37)42(40)34-16-8-3-9-17-34/h1-28H
InChIKeyIHYCVNOREOVSCW-UHFFFAOYSA-N
MW536.68 g/mol
LogP11.07
Rot. Bonds5

About N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine

N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine (PubChem CID 166847645) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
PubChem CID166847645
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC NameN,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H28N2/c1-4-12-29(13-5-1)30-20-23-35(24-21-30)41(33-14-6-2-7-15-33)36-25-22-31-28-40-38(27-32(31)26-36)37-18-10-11-19-39(37)42(40)34-16-8-3-9-17-34/h1-28H
InChIKeyIHYCVNOREOVSCW-UHFFFAOYSA-N
XLogP11.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
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
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
5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
CID 160726392
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,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine?
The IUPAC name of N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine (CID 166847645) is N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine.
What is the SMILES notation for N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine?
The canonical SMILES for N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.
What is the InChIKey of N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine?
The InChIKey is IHYCVNOREOVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-4-12-29(13-5-1)30-20-23-35(24-21-30)41(33-14-6-2-7-15-33)36-25-22-31-28-40-38(27-32(31)26-36)37-18-10-11-19-39(37)42(40)34-16-8-3-9-17-34/h1-28H.
What are the key properties of N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine?
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine has a molecular weight of 536.68 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine is sourced from PubChem (CID 166847645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).