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

C48H31N3 — CID 134168741

IUPAC12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)c2)cc1
InChIInChI=1S/C48H31N3/c1-2-13-32(14-3-1)33-15-12-16-36(31-33)50-45-24-11-7-20-41(45)47-46(50)30-29-40-39-19-6-10-23-44(39)51(48(40)47)35-27-25-34(26-28-35)49-42-21-8-4-17-37(42)38-18-5-9-22-43(38)49/h1-31H
InChIKeyJCJJXKIZVUJDHY-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

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

12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 134168741) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID134168741
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)c2)cc1
InChIInChI=1S/C48H31N3/c1-2-13-32(14-3-1)33-15-12-16-36(31-33)50-45-24-11-7-20-41(45)47-46(50)30-29-40-39-19-6-10-23-44(39)51(48(40)47)35-27-25-34(26-28-35)49-42-21-8-4-17-37(42)38-18-5-9-22-43(38)49/h1-31H
InChIKeyJCJJXKIZVUJDHY-UHFFFAOYSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.64
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-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
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
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
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-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
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
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829

Frequently Asked Questions

What is the IUPAC name of 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 134168741) is 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)c2)cc1.
What is the InChIKey of 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is JCJJXKIZVUJDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-13-32(14-3-1)33-15-12-16-36(31-33)50-45-24-11-7-20-41(45)47-46(50)30-29-40-39-19-6-10-23-44(39)51(48(40)47)35-27-25-34(26-28-35)49-42-21-8-4-17-37(42)38-18-5-9-22-43(38)49/h1-31H.
What are the key properties of 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 134168741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).