N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C54H36N2 — CID 177101101

IUPACN-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5c6c(-c7ccc8ccccc8c7)cccc6ccc54)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-2-11-37(12-3-1)40-23-27-45(28-24-40)55(48-29-25-39-14-5-7-16-43(39)36-48)46-30-32-47(33-31-46)56-51-20-9-8-18-50(51)54-52(56)34-26-41-17-10-19-49(53(41)54)44-22-21-38-13-4-6-15-42(38)35-44/h1-36H
InChIKeyLASQQNQTFONZRR-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 177101101) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID177101101
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5c6c(-c7ccc8ccccc8c7)cccc6ccc54)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-2-11-37(12-3-1)40-23-27-45(28-24-40)55(48-29-25-39-14-5-7-16-43(39)36-48)46-30-32-47(33-31-46)56-51-20-9-8-18-50(51)54-52(56)34-26-41-17-10-19-49(53(41)54)44-22-21-38-13-4-6-15-42(38)35-44/h1-36H
InChIKeyLASQQNQTFONZRR-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
N-[4-[3-naphthalen-2-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 176878181
N-[3-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177101252
N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
CID 177100994
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 177101101) is N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5c6c(-c7ccc8ccccc8c7)cccc6ccc54)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is LASQQNQTFONZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-11-37(12-3-1)40-23-27-45(28-24-40)55(48-29-25-39-14-5-7-16-43(39)36-48)46-30-32-47(33-31-46)56-51-20-9-8-18-50(51)54-52(56)34-26-41-17-10-19-49(53(41)54)44-22-21-38-13-4-6-15-42(38)35-44/h1-36H.
What are the key properties of N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 177101101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).