12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole

C54H35N3 — CID 134168746

IUPAC12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c34)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-29-41(30-26-37)56-51-24-11-7-20-47(51)53-52(56)34-33-46-45-19-6-10-23-50(45)57(54(46)53)42-16-12-15-39(35-42)38-27-31-40(32-28-38)55-48-21-8-4-17-43(48)44-18-5-9-22-49(44)55/h1-35H
InChIKeyJMNCUIIAKZDJDM-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole

12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 134168746) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID134168746
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c34)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-29-41(30-26-37)56-51-24-11-7-20-47(51)53-52(56)34-33-46-45-19-6-10-23-50(45)57(54(46)53)42-16-12-15-39(35-42)38-27-31-40(32-28-38)55-48-21-8-4-17-43(48)44-18-5-9-22-49(44)55/h1-35H
InChIKeyJMNCUIIAKZDJDM-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole (CID 134168746) is 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c34)cc2)cc1.
What is the InChIKey of 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is JMNCUIIAKZDJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-29-41(30-26-37)56-51-24-11-7-20-47(51)53-52(56)34-33-46-45-19-6-10-23-50(45)57(54(46)53)42-16-12-15-39(35-42)38-27-31-40(32-28-38)55-48-21-8-4-17-43(48)44-18-5-9-22-49(44)55/h1-35H.
What are the key properties of 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 134168746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).