10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C53H36N4 — CID 149202346

About 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 149202346) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• PubChem CID: 149202346
• Molecular Formula: C53H36N4
• Molecular Weight: 728.90 g/mol
• Exact Mass: 728.29
• IUPAC Name: 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
• SMILES: C1=CC(C2(c3ccccc3)c3cnccc3-c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)=CCC1
• InChI: InChI=1S/C53H36N4/c1-3-12-37(13-4-1)53(38-14-5-2-6-15-38)46-32-45-42-16-7-9-18-48(42)57(51(45)33-44(46)41-29-31-54-34-47(41)53)40-27-23-36(24-28-40)35-21-25-39(26-22-35)56-49-19-10-8-17-43(49)52-50(56)20-11-30-55-52/h1,3-5,7-34H,2,6H2
• InChIKey: XEYCHZTWBFLSAR-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.90
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The IUPAC name of 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 149202346) is 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

What is the SMILES notation for 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The canonical SMILES for 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is C1=CC(C2(c3ccccc3)c3cnccc3-c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)=CCC1.

What is the InChIKey of 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

The InChIKey is XEYCHZTWBFLSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/c1-3-12-37(13-4-1)53(38-14-5-2-6-15-38)46-32-45-42-16-7-9-18-48(42)57(51(45)33-44(46)41-29-31-54-34-47(41)53)40-27-23-36(24-28-40)35-21-25-39(26-22-35)56-49-19-10-8-17-43(49)52-50(56)20-11-30-55-52/h1,3-5,7-34H,2,6H2.

What are the key properties of 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?

10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 728.90 g/mol, XLogP of 12.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 149202346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).