N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline

C44H30N2 — CID 138468062

IUPACN-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C44H30N2/c1-2-15-36(16-3-1)45(39-17-10-14-34(30-39)35-22-21-31-11-4-5-13-33(31)29-35)37-24-26-38(27-25-37)46-42-20-9-8-19-41(42)44-40-18-7-6-12-32(40)23-28-43(44)46/h1-30H
InChIKeyLQXQQOZYYHAIDT-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline

N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline (PubChem CID 138468062) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
PubChem CID138468062
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC NameN-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C44H30N2/c1-2-15-36(16-3-1)45(39-17-10-14-34(30-39)35-22-21-31-11-4-5-13-33(31)29-35)37-24-26-38(27-25-37)46-42-20-9-8-19-41(42)44-40-18-7-6-12-32(40)23-28-43(44)46/h1-30H
InChIKeyLQXQQOZYYHAIDT-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-[4-(7-benzo[c]carbazol-7-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170363151
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
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-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline (CID 138468062) is N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline is c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline?
The InChIKey is LQXQQOZYYHAIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-2-15-36(16-3-1)45(39-17-10-14-34(30-39)35-22-21-31-11-4-5-13-33(31)29-35)37-24-26-38(27-25-37)46-42-20-9-8-19-41(42)44-40-18-7-6-12-32(40)23-28-43(44)46/h1-30H.
What are the key properties of N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline?
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline has a molecular weight of 586.74 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 138468062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).