N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline

C50H35N3 — CID 118315838

IUPACN,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c23)cc1
InChIInChI=1S/C50H35N3/c1-6-19-36(20-7-1)47-45-34-33-44-43-31-16-17-32-46(43)52(49(44)50(45)53(40-27-14-5-15-28-40)48(47)37-21-8-2-9-22-37)42-30-18-29-41(35-42)51(38-23-10-3-11-24-38)39-25-12-4-13-26-39/h1-35H
InChIKeyZUJIWXUKIQTJRO-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.53
Rot. Bonds7

About N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline

N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline (PubChem CID 118315838) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
PubChem CID118315838
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC NameN,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c23)cc1
InChIInChI=1S/C50H35N3/c1-6-19-36(20-7-1)47-45-34-33-44-43-31-16-17-32-46(43)52(49(44)50(45)53(40-27-14-5-15-28-40)48(47)37-21-8-2-9-22-37)42-30-18-29-41(35-42)51(38-23-10-3-11-24-38)39-25-12-4-13-26-39/h1-35H
InChIKeyZUJIWXUKIQTJRO-UHFFFAOYSA-N
XLogP13.53
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline
CID 118315677
1,2,3-triphenyl-10-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-a]carbazole
CID 118315810
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
9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
CID 155097260
N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
CID 121286448
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine
CID 58161352
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-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
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline (CID 118315838) is N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c23)cc1.
What is the InChIKey of N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline?
The InChIKey is ZUJIWXUKIQTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-6-19-36(20-7-1)47-45-34-33-44-43-31-16-17-32-46(43)52(49(44)50(45)53(40-27-14-5-15-28-40)48(47)37-21-8-2-9-22-37)42-30-18-29-41(35-42)51(38-23-10-3-11-24-38)39-25-12-4-13-26-39/h1-35H.
What are the key properties of N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline?
N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline has a molecular weight of 677.85 g/mol, XLogP of 13.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(1,2,3-triphenylpyrrolo[2,3-a]carbazol-10-yl)aniline is sourced from PubChem (CID 118315838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).