N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

C54H36N2 — CID 170363145

IUPACN-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-2-14-47(15-3-1)55(48-27-22-38(23-28-48)44-20-18-37-10-4-5-11-41(37)32-44)49-29-24-39(25-30-49)45-21-19-40-26-31-50(34-46(40)33-45)56-53-17-9-8-16-51(53)52-35-42-12-6-7-13-43(42)36-54(52)56/h1-36H
InChIKeyFJVSLDXZZRDMES-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 170363145) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
PubChem CID170363145
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-2-14-47(15-3-1)55(48-27-22-38(23-28-48)44-20-18-37-10-4-5-11-41(37)32-44)49-29-24-39(25-30-49)45-21-19-40-26-31-50(34-46(40)33-45)56-53-17-9-8-16-51(53)52-35-42-12-6-7-13-43(42)36-54(52)56/h1-36H
InChIKeyFJVSLDXZZRDMES-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

3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (CID 170363145) is N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4c3)cc2)cc1.
What is the InChIKey of N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is FJVSLDXZZRDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-14-47(15-3-1)55(48-27-22-38(23-28-48)44-20-18-37-10-4-5-11-41(37)32-44)49-29-24-39(25-30-49)45-21-19-40-26-31-50(34-46(40)33-45)56-53-17-9-8-16-51(53)52-35-42-12-6-7-13-43(42)36-54(52)56/h1-36H.
What are the key properties of N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline 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-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 170363145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).