N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline

C38H27N3 — CID 118315279

IUPACN,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1
InChIInChI=1S/C38H27N3/c1-4-13-28(14-5-1)39-26-25-34-35(39)23-24-37-38(34)33-21-10-11-22-36(33)41(37)32-20-12-19-31(27-32)40(29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-27H
InChIKeyOZCFPXHGPPINBR-UHFFFAOYSA-N
MW525.66 g/mol
LogP10.20
Rot. Bonds5

About N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline

N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline (PubChem CID 118315279) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
PubChem CID118315279
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC NameN,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1
InChIInChI=1S/C38H27N3/c1-4-13-28(14-5-1)39-26-25-34-35(39)23-24-37-38(34)33-21-10-11-22-36(33)41(37)32-20-12-19-31(27-32)40(29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-27H
InChIKeyOZCFPXHGPPINBR-UHFFFAOYSA-N
XLogP10.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
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,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
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
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
N,N-diphenyl-3-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;N,N-diphenyl-4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)phenyl]aniline
CID 160601602
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline (CID 118315279) is N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline is c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline?
The InChIKey is OZCFPXHGPPINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-4-13-28(14-5-1)39-26-25-34-35(39)23-24-37-38(34)33-21-10-11-22-36(33)41(37)32-20-12-19-31(27-32)40(29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-27H.
What are the key properties of N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline?
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline has a molecular weight of 525.66 g/mol, XLogP of 10.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline is sourced from PubChem (CID 118315279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).