11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole

C45H29N3 — CID 140944165

IUPAC11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cc5ccccc5cn4)c3)cc2)cc1
InChIInChI=1S/C45H29N3/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)33-15-10-16-36(25-33)47-41-19-8-6-17-37(41)39-28-44-40(27-43(39)47)38-18-7-9-20-42(38)48(44)45-26-34-13-4-5-14-35(34)29-46-45/h1-29H
InChIKeyUAUGETVZHMWFCQ-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.76
Rot. Bonds4

About 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole

11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 140944165) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
PubChem CID140944165
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cc5ccccc5cn4)c3)cc2)cc1
InChIInChI=1S/C45H29N3/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)33-15-10-16-36(25-33)47-41-19-8-6-17-37(41)39-28-44-40(27-43(39)47)38-18-7-9-20-42(38)48(44)45-26-34-13-4-5-14-35(34)29-46-45/h1-29H
InChIKeyUAUGETVZHMWFCQ-UHFFFAOYSA-N
XLogP11.76
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734

Frequently Asked Questions

What is the IUPAC name of 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole (CID 140944165) is 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cc5ccccc5cn4)c3)cc2)cc1.
What is the InChIKey of 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is UAUGETVZHMWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)33-15-10-16-36(25-33)47-41-19-8-6-17-37(41)39-28-44-40(27-43(39)47)38-18-7-9-20-42(38)48(44)45-26-34-13-4-5-14-35(34)29-46-45/h1-29H.
What are the key properties of 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 611.75 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 140944165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).