3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline

C44H31N3 — CID 118315677

IUPAC3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc3ccc4c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4c3n2-c2ccccc2)cc1
InChIInChI=1S/C44H31N3/c1-5-16-32(17-6-1)42-30-33-28-29-40-39-26-13-14-27-41(39)47(44(40)43(33)46(42)36-22-11-4-12-23-36)38-25-15-24-37(31-38)45(34-18-7-2-8-19-34)35-20-9-3-10-21-35/h1-31H
InChIKeyPEELEACKIQYAEI-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.86
Rot. Bonds6

About 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline

3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline (PubChem CID 118315677) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline
PubChem CID118315677
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc3ccc4c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4c3n2-c2ccccc2)cc1
InChIInChI=1S/C44H31N3/c1-5-16-32(17-6-1)42-30-33-28-29-40-39-26-13-14-27-41(39)47(44(40)43(33)46(42)36-22-11-4-12-23-36)38-25-15-24-37(31-38)45(34-18-7-2-8-19-34)35-20-9-3-10-21-35/h1-31H
InChIKeyPEELEACKIQYAEI-UHFFFAOYSA-N
XLogP11.86
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-bis(4-tert-butylphenyl)-N-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315727
1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315652
9-(4-tert-butylphenyl)-N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N-(4-propan-2-ylphenyl)carbazol-3-amine;N-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine;N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 160823280
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
CID 118315838
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
N-phenyl-N-(3-phenylphenyl)-7-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273386
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline?
The IUPAC name of 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline (CID 118315677) is 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline is c1ccc(-c2cc3ccc4c5ccccc5n(-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4c3n2-c2ccccc2)cc1.
What is the InChIKey of 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline?
The InChIKey is PEELEACKIQYAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-5-16-32(17-6-1)42-30-33-28-29-40-39-26-13-14-27-41(39)47(44(40)43(33)46(42)36-22-11-4-12-23-36)38-25-15-24-37(31-38)45(34-18-7-2-8-19-34)35-20-9-3-10-21-35/h1-31H.
What are the key properties of 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline?
3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline has a molecular weight of 601.75 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline is sourced from PubChem (CID 118315677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).