3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline

C54H36N4 — CID 170133412

IUPAC3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H36N4/c1-4-18-37(19-5-1)55(38-20-6-2-7-21-38)40-34-41(56-48-28-14-10-24-43(48)44-25-11-15-29-49(44)56)36-42(35-40)57-51-31-17-13-27-47(51)53-52(57)33-32-46-45-26-12-16-30-50(45)58(54(46)53)39-22-8-3-9-23-39/h1-36H
InChIKeyVSUALKKZODVFAL-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.45
Rot. Bonds6

About 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline

3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline (PubChem CID 170133412) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
PubChem CID170133412
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H36N4/c1-4-18-37(19-5-1)55(38-20-6-2-7-21-38)40-34-41(56-48-28-14-10-24-43(48)44-25-11-15-29-49(44)56)36-42(35-40)57-51-31-17-13-27-47(51)53-52(57)33-32-46-45-26-12-16-30-50(45)58(54(46)53)39-22-8-3-9-23-39/h1-36H
InChIKeyVSUALKKZODVFAL-UHFFFAOYSA-N
XLogP14.45
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
CID 142474030
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
CID 163777791
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline?
The IUPAC name of 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline (CID 170133412) is 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline.
What is the SMILES notation for 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline?
The canonical SMILES for 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline is c1ccc(N(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline?
The InChIKey is VSUALKKZODVFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-4-18-37(19-5-1)55(38-20-6-2-7-21-38)40-34-41(56-48-28-14-10-24-43(48)44-25-11-15-29-49(44)56)36-42(35-40)57-51-31-17-13-27-47(51)53-52(57)33-32-46-45-26-12-16-30-50(45)58(54(46)53)39-22-8-3-9-23-39/h1-36H.
What are the key properties of 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline?
3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline has a molecular weight of 740.91 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline is sourced from PubChem (CID 170133412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).