5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole

C61H43N5 — CID 59344124

IUPAC5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)c1
InChIInChI=1S/C61H43N5/c1-38-30-44(64-56-16-8-4-12-50(56)51-13-5-9-17-57(51)64)20-23-47(38)41-33-42(48-24-21-45(31-39(48)2)65-58-18-10-6-14-52(58)54-36-62-28-26-60(54)65)35-43(34-41)49-25-22-46(32-40(49)3)66-59-19-11-7-15-53(59)55-37-63-29-27-61(55)66/h4-37H,1-3H3
InChIKeyGKZSAYMPTVHHIQ-UHFFFAOYSA-N
MW846.05 g/mol
LogP15.69
Rot. Bonds6

About 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole

5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole (PubChem CID 59344124) has the molecular formula C61H43N5 and a molecular weight of 846.05 g/mol. Its IUPAC name is 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
PubChem CID59344124
Molecular FormulaC61H43N5
Molecular Weight846.05 g/mol
Exact Mass845.35
IUPAC Name5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)c1
InChIInChI=1S/C61H43N5/c1-38-30-44(64-56-16-8-4-12-50(56)51-13-5-9-17-57(51)64)20-23-47(38)41-33-42(48-24-21-45(31-39(48)2)65-58-18-10-6-14-52(58)54-36-62-28-26-60(54)65)35-43(34-41)49-25-22-46(32-40(49)3)66-59-19-11-7-15-53(59)55-37-63-29-27-61(55)66/h4-37H,1-3H3
InChIKeyGKZSAYMPTVHHIQ-UHFFFAOYSA-N
XLogP15.69
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.05
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole (CID 59344124) is 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole is Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)c1.
What is the InChIKey of 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
The InChIKey is GKZSAYMPTVHHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N5/c1-38-30-44(64-56-16-8-4-12-50(56)51-13-5-9-17-57(51)64)20-23-47(38)41-33-42(48-24-21-45(31-39(48)2)65-58-18-10-6-14-52(58)54-36-62-28-26-60(54)65)35-43(34-41)49-25-22-46(32-40(49)3)66-59-19-11-7-15-53(59)55-37-63-29-27-61(55)66/h4-37H,1-3H3.
What are the key properties of 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole has a molecular weight of 846.05 g/mol, XLogP of 15.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59344124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).