9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole

C60H42N6 — CID 59344126

IUPAC9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2cc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)c2)cc1
InChIInChI=1S/C60H42N6/c1-4-10-55-49(7-1)52-25-28-61-37-58(52)64(55)46-19-13-40(14-20-46)31-43-34-44(32-41-15-21-47(22-16-41)65-56-11-5-2-8-50(56)53-26-29-62-38-59(53)65)36-45(35-43)33-42-17-23-48(24-18-42)66-57-12-6-3-9-51(57)54-27-30-63-39-60(54)66/h1-30,34-39H,31-33H2
InChIKeyYEBFKPUCKAPFJT-UHFFFAOYSA-N
MW847.04 g/mol
LogP13.94
Rot. Bonds9

About 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole

9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole (PubChem CID 59344126) has the molecular formula C60H42N6 and a molecular weight of 847.04 g/mol. Its IUPAC name is 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole
PubChem CID59344126
Molecular FormulaC60H42N6
Molecular Weight847.04 g/mol
Exact Mass846.35
IUPAC Name9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2cc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)c2)cc1
InChIInChI=1S/C60H42N6/c1-4-10-55-49(7-1)52-25-28-61-37-58(52)64(55)46-19-13-40(14-20-46)31-43-34-44(32-41-15-21-47(22-16-41)65-56-11-5-2-8-50(56)53-26-29-62-38-59(53)65)36-45(35-43)33-42-17-23-48(24-18-42)66-57-12-6-3-9-51(57)54-27-30-63-39-60(54)66/h1-30,34-39H,31-33H2
InChIKeyYEBFKPUCKAPFJT-UHFFFAOYSA-N
XLogP13.94
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.04
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole (CID 59344126) is 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole is c1ccc2c(c1)c1ccncc1n2-c1ccc(Cc2cc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)c2)cc1.
What is the InChIKey of 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is YEBFKPUCKAPFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N6/c1-4-10-55-49(7-1)52-25-28-61-37-58(52)64(55)46-19-13-40(14-20-46)31-43-34-44(32-41-15-21-47(22-16-41)65-56-11-5-2-8-50(56)53-26-29-62-38-59(53)65)36-45(35-43)33-42-17-23-48(24-18-42)66-57-12-6-3-9-51(57)54-27-30-63-39-60(54)66/h1-30,34-39H,31-33H2.
What are the key properties of 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole?
9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 847.04 g/mol, XLogP of 13.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59344126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).