3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C60H35N3O2 — CID 164795543

About 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 164795543) has the molecular formula C60H35N3O2 and a molecular weight of 829.96 g/mol. Its IUPAC name is 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• PubChem CID: 164795543
• Molecular Formula: C60H35N3O2
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.27
• IUPAC Name: 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)c4n-2c13
• InChI: InChI=1S/C60H35N3O2/c1-4-17-50-42(11-1)48-33-37(38-26-32-53-49(34-38)43-12-2-5-18-51(43)62(53)40-29-30-45-44-13-3-7-20-55(44)64-58(45)35-40)25-31-52(48)61(50)39-27-23-36(24-28-39)41-14-9-15-46-47-16-10-22-57-60(47)63(59(41)46)54-19-6-8-21-56(54)65-57/h1-35H
• InChIKey: SDTMQTINASPKHP-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 37.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.96
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 164795543) is 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)c4n-2c13.

What is the InChIKey of 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The InChIKey is SDTMQTINASPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O2/c1-4-17-50-42(11-1)48-33-37(38-26-32-53-49(34-38)43-12-2-5-18-51(43)62(53)40-29-30-45-44-13-3-7-20-55(44)64-58(45)35-40)25-31-52(48)61(50)39-27-23-36(24-28-39)41-14-9-15-46-47-16-10-22-57-60(47)63(59(41)46)54-19-6-8-21-56(54)65-57/h1-35H.

What are the key properties of 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 829.96 g/mol, XLogP of 16.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).