3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine

C50H34N2 — CID 167038444

IUPAC3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4ccccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-14-35(15-4-1)37-26-28-42(29-27-37)51(43-22-13-21-38(30-43)36-16-5-2-6-17-36)50-34-44(31-41-20-9-10-23-45(41)50)52-48-25-12-11-24-46(48)47-32-39-18-7-8-19-40(39)33-49(47)52/h1-34H
InChIKeyONJYHHBEAFFNCK-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine

3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167038444) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167038444
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4ccccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-14-35(15-4-1)37-26-28-42(29-27-37)51(43-22-13-21-38(30-43)36-16-5-2-6-17-36)50-34-44(31-41-20-9-10-23-45(41)50)52-48-25-12-11-24-46(48)47-32-39-18-7-8-19-40(39)33-49(47)52/h1-34H
InChIKeyONJYHHBEAFFNCK-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249
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
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 168809328
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121311226
9-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 167357212

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 167038444) is 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4ccccc34)cc2)cc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is ONJYHHBEAFFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-14-35(15-4-1)37-26-28-42(29-27-37)51(43-22-13-21-38(30-43)36-16-5-2-6-17-36)50-34-44(31-41-20-9-10-23-45(41)50)52-48-25-12-11-24-46(48)47-32-39-18-7-8-19-40(39)33-49(47)52/h1-34H.
What are the key properties of 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167038444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).