12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole

C52H39N3 — CID 170176958

IUPAC12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESCCCCc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)c32)c1
InChIInChI=1S/C52H39N3/c1-2-3-15-35-28-30-49-45(32-35)42-23-8-10-25-46(42)53(49)39-20-14-21-40(34-39)55-47-26-11-7-22-41(47)43-29-31-50-51(52(43)55)44-24-9-12-27-48(44)54(50)38-19-13-18-37(33-38)36-16-5-4-6-17-36/h4-14,16-34H,2-3,15H2,1H3
InChIKeyVYPMPOBKZSTUJC-UHFFFAOYSA-N
MW705.91 g/mol
LogP13.99
Rot. Bonds7

About 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole

12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 170176958) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID170176958
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Name12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESCCCCc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)c32)c1
InChIInChI=1S/C52H39N3/c1-2-3-15-35-28-30-49-45(32-35)42-23-8-10-25-46(42)53(49)39-20-14-21-40(34-39)55-47-26-11-7-22-41(47)43-29-31-50-51(52(43)55)44-24-9-12-27-48(44)54(50)38-19-13-18-37(33-38)36-16-5-4-6-17-36/h4-14,16-34H,2-3,15H2,1H3
InChIKeyVYPMPOBKZSTUJC-UHFFFAOYSA-N
XLogP13.99
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.91
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504654
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
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
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
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-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 170177004
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424

Frequently Asked Questions

What is the IUPAC name of 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 170176958) is 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole is CCCCc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)c32)c1.
What is the InChIKey of 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is VYPMPOBKZSTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-2-3-15-35-28-30-49-45(32-35)42-23-8-10-25-46(42)53(49)39-20-14-21-40(34-39)55-47-26-11-7-22-41(47)43-29-31-50-51(52(43)55)44-24-9-12-27-48(44)54(50)38-19-13-18-37(33-38)36-16-5-4-6-17-36/h4-14,16-34H,2-3,15H2,1H3.
What are the key properties of 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 705.91 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170176958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).