N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine

C42H29N3 — CID 118315283

IUPACN-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H29N3/c1-3-13-32(14-4-1)43-28-27-38-39(43)25-26-41-42(38)37-17-9-10-18-40(37)45(41)35-23-21-34(22-24-35)44(33-15-5-2-6-16-33)36-20-19-30-11-7-8-12-31(30)29-36/h1-29H
InChIKeyZQWIACNWNOZYPN-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.35
Rot. Bonds5

About N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine

N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine (PubChem CID 118315283) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
PubChem CID118315283
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC NameN-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C42H29N3/c1-3-13-32(14-4-1)43-28-27-38-39(43)25-26-41-42(38)37-17-9-10-18-40(37)45(41)35-23-21-34(22-24-35)44(33-15-5-2-6-16-33)36-20-19-30-11-7-8-12-31(30)29-36/h1-29H
InChIKeyZQWIACNWNOZYPN-UHFFFAOYSA-N
XLogP11.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 162156424
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
N,N-diphenyl-4-(7-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaen-14-yl)aniline
CID 90223257
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
buta-1,3-diene;N-phenyl-N-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-amine
CID 145273332
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine (CID 118315283) is N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
The InChIKey is ZQWIACNWNOZYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-3-13-32(14-4-1)43-28-27-38-39(43)25-26-41-42(38)37-17-9-10-18-40(37)45(41)35-23-21-34(22-24-35)44(33-15-5-2-6-16-33)36-20-19-30-11-7-8-12-31(30)29-36/h1-29H.
What are the key properties of N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine?
N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine has a molecular weight of 575.72 g/mol, XLogP of 11.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 118315283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).