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

C56H38N2 — CID 167195026

IUPACN-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)c4)c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C56H38N2/c1-3-15-39(16-4-1)42-21-11-22-43(35-42)40-31-33-48(34-32-40)57(53-29-13-20-41-17-9-10-27-50(41)53)49-26-12-23-46(36-49)51-28-14-30-54-56(51)52-37-44-18-7-8-19-45(44)38-55(52)58(54)47-24-5-2-6-25-47/h1-38H
InChIKeyKKHRMGKSVMMLEG-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

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

N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 167195026) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID167195026
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)c4)c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C56H38N2/c1-3-15-39(16-4-1)42-21-11-22-43(35-42)40-31-33-48(34-32-40)57(53-29-13-20-41-17-9-10-27-50(41)53)49-26-12-23-46(36-49)51-28-14-30-54-56(51)52-37-44-18-7-8-19-45(44)38-55(52)58(54)47-24-5-2-6-25-47/h1-38H
InChIKeyKKHRMGKSVMMLEG-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659728
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine (CID 167195026) is N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)c4)c4cccc5ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is KKHRMGKSVMMLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-15-39(16-4-1)42-21-11-22-43(35-42)40-31-33-48(34-32-40)57(53-29-13-20-41-17-9-10-27-50(41)53)49-26-12-23-46(36-49)51-28-14-30-54-56(51)52-37-44-18-7-8-19-45(44)38-55(52)58(54)47-24-5-2-6-25-47/h1-38H.
What are the key properties of N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine?
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167195026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).