12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole

C45H29N3 — CID 170268448

IUPAC12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc7ccccc67)c5c43)c2)cc1
InChIInChI=1S/C45H29N3/c1-3-14-30(15-4-1)32-19-13-20-34(28-32)47-41-24-11-9-22-36(41)38-26-27-39-37-23-10-12-25-42(37)48(44(39)43(38)47)45-35-21-8-7-18-33(35)29-40(46-45)31-16-5-2-6-17-31/h1-29H
InChIKeyKMNPYLBGSAZCII-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.76
Rot. Bonds4

About 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole

12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 170268448) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID170268448
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc7ccccc67)c5c43)c2)cc1
InChIInChI=1S/C45H29N3/c1-3-14-30(15-4-1)32-19-13-20-34(28-32)47-41-24-11-9-22-36(41)38-26-27-39-37-23-10-12-25-42(37)48(44(39)43(38)47)45-35-21-8-7-18-33(35)29-40(46-45)31-16-5-2-6-17-31/h1-29H
InChIKeyKMNPYLBGSAZCII-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

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolin-1-yl]-11-phenylindolo[2,3-a]carbazole
CID 170237861
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 170268381
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 58570101
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
12-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 156556543

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole (CID 170268448) is 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc7ccccc67)c5c43)c2)cc1.
What is the InChIKey of 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is KMNPYLBGSAZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-3-14-30(15-4-1)32-19-13-20-34(28-32)47-41-24-11-9-22-36(41)38-26-27-39-37-23-10-12-25-42(37)48(44(39)43(38)47)45-35-21-8-7-18-33(35)29-40(46-45)31-16-5-2-6-17-31/h1-29H.
What are the key properties of 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]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 12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 170268448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).