20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene

C49H28N6O — CID 140939497

About 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene

20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene (PubChem CID 140939497) has the molecular formula C49H28N6O and a molecular weight of 716.80 g/mol. Its IUPAC name is 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene
• PubChem CID: 140939497
• Molecular Formula: C49H28N6O
• Molecular Weight: 716.80 g/mol
• Exact Mass: 716.23
• IUPAC Name: 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(c7ccccc7c7nc8cnccc8n76)c5n4)ccc32)cc1
• InChI: InChI=1S/C49H28N6O/c1-2-10-31(11-3-1)53-39-16-8-6-12-32(39)36-26-29(18-20-41(36)53)30-19-21-42-37(27-30)33-13-7-9-17-40(33)54(42)45-23-22-44-47(52-45)46-34-14-4-5-15-35(34)48-51-38-28-50-25-24-43(38)55(48)49(46)56-44/h1-28H
• InChIKey: HLCUWPWYVSNOOB-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 66.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.80
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene?

The IUPAC name of 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene (CID 140939497) is 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene.

What is the SMILES notation for 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene?

The canonical SMILES for 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(c7ccccc7c7nc8cnccc8n76)c5n4)ccc32)cc1.

What is the InChIKey of 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene?

The InChIKey is HLCUWPWYVSNOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N6O/c1-2-10-31(11-3-1)53-39-16-8-6-12-32(39)36-26-29(18-20-41(36)53)30-19-21-42-37(27-30)33-13-7-9-17-40(33)54(42)45-23-22-44-47(52-45)46-34-14-4-5-15-35(34)48-51-38-28-50-25-24-43(38)55(48)49(46)56-44/h1-28H.

What are the key properties of 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene?

20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene has a molecular weight of 716.80 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-24-oxa-2,6,9,19-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,9,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 140939497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).