N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine

C54H38N4 — CID 90050790

IUPACN,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H38N4/c1-6-19-39(20-7-1)55(40-21-8-2-9-22-40)44-29-18-30-45(37-44)57-51-35-33-46(56(41-23-10-3-11-24-41)42-25-12-4-13-26-42)38-49(51)53-52(57)36-34-48-47-31-16-17-32-50(47)58(54(48)53)43-27-14-5-15-28-43/h1-38H
InChIKeyFIMFSIKZALBPAC-UHFFFAOYSA-N
MW742.93 g/mol
LogP14.82
Rot. Bonds8

About N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine

N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine (PubChem CID 90050790) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine.

Molecular Properties

Compound NameN,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
PubChem CID90050790
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC NameN,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H38N4/c1-6-19-39(20-7-1)55(40-21-8-2-9-22-40)44-29-18-30-45(37-44)57-51-35-33-46(56(41-23-10-3-11-24-41)42-25-12-4-13-26-42)38-49(51)53-52(57)36-34-48-47-31-16-17-32-50(47)58(54(48)53)43-27-14-5-15-28-43/h1-38H
InChIKeyFIMFSIKZALBPAC-UHFFFAOYSA-N
XLogP14.82
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
CID 170133412
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
CID 142474030
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
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
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
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,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine?
The IUPAC name of N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine (CID 90050790) is N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine.
What is the SMILES notation for N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine?
The canonical SMILES for N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine is c1ccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine?
The InChIKey is FIMFSIKZALBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-6-19-39(20-7-1)55(40-21-8-2-9-22-40)44-29-18-30-45(37-44)57-51-35-33-46(56(41-23-10-3-11-24-41)42-25-12-4-13-26-42)38-49(51)53-52(57)36-34-48-47-31-16-17-32-50(47)58(54(48)53)43-27-14-5-15-28-43/h1-38H.
What are the key properties of N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine?
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine has a molecular weight of 742.93 g/mol, XLogP of 14.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine is sourced from PubChem (CID 90050790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).