11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole

C54H34N4 — CID 70938031

IUPAC11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c32)cc1
InChIInChI=1S/C54H34N4/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)55(47)35-25-29-37(30-26-35)57-51-23-11-5-17-43(51)45-33-34-46-44-18-6-12-24-52(44)58(54(46)53(45)57)38-31-27-36(28-32-38)56-49-21-9-3-15-41(49)42-16-4-10-22-50(42)56/h1-34H
InChIKeyXFWJAHRGZZZVET-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.07
Rot. Bonds4

About 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole

11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole (PubChem CID 70938031) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
PubChem CID70938031
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c32)cc1
InChIInChI=1S/C54H34N4/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)55(47)35-25-29-37(30-26-35)57-51-23-11-5-17-43(51)45-33-34-46-44-18-6-12-24-52(44)58(54(46)53(45)57)38-31-27-36(28-32-38)56-49-21-9-3-15-41(49)42-16-4-10-22-50(42)56/h1-34H
InChIKeyXFWJAHRGZZZVET-UHFFFAOYSA-N
XLogP14.07
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606

Frequently Asked Questions

What is the IUPAC name of 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole (CID 70938031) is 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c32)cc1.
What is the InChIKey of 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole?
The InChIKey is XFWJAHRGZZZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)55(47)35-25-29-37(30-26-35)57-51-23-11-5-17-43(51)45-33-34-46-44-18-6-12-24-52(44)58(54(46)53(45)57)38-31-27-36(28-32-38)56-49-21-9-3-15-41(49)42-16-4-10-22-50(42)56/h1-34H.
What are the key properties of 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole?
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole has a molecular weight of 738.89 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 70938031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).