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

C60H41N3 — CID 145273285

IUPAC3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H41N3/c1-4-15-42(16-5-1)44-27-33-49(34-28-44)61(52-22-14-19-47(41-52)43-17-6-2-7-18-43)50-35-29-45(30-36-50)46-31-37-51(38-32-46)63-56-25-12-10-23-53(56)54-39-40-58-59(60(54)63)55-24-11-13-26-57(55)62(58)48-20-8-3-9-21-48/h1-41H
InChIKeyRGUJWUOAZCBTEK-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.35
Rot. Bonds8

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

3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 145273285) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID145273285
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H41N3/c1-4-15-42(16-5-1)44-27-33-49(34-28-44)61(52-22-14-19-47(41-52)43-17-6-2-7-18-43)50-35-29-45(30-36-50)46-31-37-51(38-32-46)63-56-25-12-10-23-53(56)54-39-40-58-59(60(54)63)55-24-11-13-26-57(55)62(58)48-20-8-3-9-21-48/h1-41H
InChIKeyRGUJWUOAZCBTEK-UHFFFAOYSA-N
XLogP16.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
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 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 145273285) is 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is RGUJWUOAZCBTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-15-42(16-5-1)44-27-33-49(34-28-44)61(52-22-14-19-47(41-52)43-17-6-2-7-18-43)50-35-29-45(30-36-50)46-31-37-51(38-32-46)63-56-25-12-10-23-53(56)54-39-40-58-59(60(54)63)55-24-11-13-26-57(55)62(58)48-20-8-3-9-21-48/h1-41H.
What are the key properties of 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 804.01 g/mol, XLogP of 16.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145273285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).