10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C54H35N5 — CID 145004210

About 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 145004210) has the molecular formula C54H35N5 and a molecular weight of 753.91 g/mol. Its IUPAC name is 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 145004210
• Molecular Formula: C54H35N5
• Molecular Weight: 753.91 g/mol
• Exact Mass: 753.29
• IUPAC Name: 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: c1ccc(N2c3ccccc3-c3c(c4ccccc4n3-c3ccccc3)-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cn5)nc4)c32)cc1
• InChI: InChI=1S/C54H35N5/c1-3-16-37(17-4-1)58-51-29-14-10-23-44(51)54-52(43-22-9-13-28-50(43)59(54)38-18-5-2-6-19-38)45-25-15-24-40(53(45)58)36-30-32-46(55-34-36)47-33-31-39(35-56-47)57-48-26-11-7-20-41(48)42-21-8-12-27-49(42)57/h1-35H
• InChIKey: DESGFLQCXQXPGT-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.91
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 145004210) is 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(N2c3ccccc3-c3c(c4ccccc4n3-c3ccccc3)-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cn5)nc4)c32)cc1.

What is the InChIKey of 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is DESGFLQCXQXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N5/c1-3-16-37(17-4-1)58-51-29-14-10-23-44(51)54-52(43-22-9-13-28-50(43)59(54)38-18-5-2-6-19-38)45-25-15-24-40(53(45)58)36-30-32-46(55-34-36)47-33-31-39(35-56-47)57-48-26-11-7-20-41(48)42-21-8-12-27-49(42)57/h1-35H.

What are the key properties of 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 753.91 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(5-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]-8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 145004210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).