N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline

C54H37N3 — CID 142474038

IUPACN-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)c3)cc2)cc1
InChIInChI=1S/C54H37N3/c1-4-15-38(16-5-1)39-27-31-44(32-28-39)55(42-18-6-2-7-19-42)46-22-14-17-41(37-46)40-29-33-45(34-30-40)57-50-25-12-10-23-47(50)48-35-36-52-53(54(48)57)49-24-11-13-26-51(49)56(52)43-20-8-3-9-21-43/h1-37H
InChIKeyQVVXGIRITPDXCS-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline

N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 142474038) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID142474038
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)c3)cc2)cc1
InChIInChI=1S/C54H37N3/c1-4-15-38(16-5-1)39-27-31-44(32-28-39)55(42-18-6-2-7-19-42)46-22-14-17-41(37-46)40-29-33-45(34-30-40)57-50-25-12-10-23-47(50)48-35-36-52-53(54(48)57)49-24-11-13-26-51(49)56(52)43-20-8-3-9-21-43/h1-37H
InChIKeyQVVXGIRITPDXCS-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
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
N-phenyl-N-(3-phenylphenyl)-7-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273386
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
CID 163777791
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
benzene;N-naphthalen-2-yl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]naphthalen-2-amine
CID 145273265

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 142474038) is N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)c3)cc2)cc1.
What is the InChIKey of N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is QVVXGIRITPDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-15-38(16-5-1)39-27-31-44(32-28-39)55(42-18-6-2-7-19-42)46-22-14-17-41(37-46)40-29-33-45(34-30-40)57-50-25-12-10-23-47(50)48-35-36-52-53(54(48)57)49-24-11-13-26-51(49)56(52)43-20-8-3-9-21-43/h1-37H.
What are the key properties of N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline?
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 142474038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).