10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C60H36N4O — CID 164795507

About 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795507) has the molecular formula C60H36N4O and a molecular weight of 828.98 g/mol. Its IUPAC name is 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• PubChem CID: 164795507
• Molecular Formula: C60H36N4O
• Molecular Weight: 828.98 g/mol
• Exact Mass: 828.29
• IUPAC Name: 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc3c4ccccc4n-2c13
• InChI: InChI=1S/C60H36N4O/c1-6-18-50-42(13-1)43-14-2-7-19-51(43)62(50)40-29-31-55-47(35-40)48-36-41(63-52-20-8-3-15-44(52)45-16-4-9-21-53(45)63)30-32-56(48)61(55)39-27-25-37(26-28-39)38-33-49-46-17-5-10-22-54(46)64-57-23-11-12-24-58(57)65-59(34-38)60(49)64/h1-36H
• InChIKey: YGSAVUYZWWEICL-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 28.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.98
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795507) is 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)Oc1cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc3c4ccccc4n-2c13.

What is the InChIKey of 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The InChIKey is YGSAVUYZWWEICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O/c1-6-18-50-42(13-1)43-14-2-7-19-51(43)62(50)40-29-31-55-47(35-40)48-36-41(63-52-20-8-3-15-44(52)45-16-4-9-21-53(45)63)30-32-56(48)61(55)39-27-25-37(26-28-39)38-33-49-46-17-5-10-22-54(46)64-57-23-11-12-24-58(57)65-59(34-38)60(49)64/h1-36H.

What are the key properties of 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 828.98 g/mol, XLogP of 15.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).