7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

C42H29N3 — CID 170652048

About 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (PubChem CID 170652048) has the molecular formula C42H29N3 and a molecular weight of 579.74 g/mol. Its IUPAC name is 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.

Molecular Properties

• Compound Name: 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
• PubChem CID: 170652048
• Molecular Formula: C42H29N3
• Molecular Weight: 579.74 g/mol
• Exact Mass: 579.26
• IUPAC Name: 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(N3c4cccc(c4)-c4cccc(c4)Nc4cccc(c4)-c4cccc3c4)cc1n2-c1ccccc1
• InChI: InChI=1S/C42H29N3/c1-2-16-35(17-3-1)45-41-21-5-4-20-39(41)40-23-22-38(28-42(40)45)44-36-18-8-12-31(26-36)29-10-6-14-33(24-29)43-34-15-7-11-30(25-34)32-13-9-19-37(44)27-32/h1-28,43H/i4D,5D,20D,21D
• InChIKey: UMYWKOXWQVOFJR-YUCACXIGSA-N
• XLogP: 11.64
• TPSA: 20.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.74
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?

The IUPAC name of 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (CID 170652048) is 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.

What is the SMILES notation for 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?

The canonical SMILES for 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(N3c4cccc(c4)-c4cccc(c4)Nc4cccc(c4)-c4cccc3c4)cc1n2-c1ccccc1.

What is the InChIKey of 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?

The InChIKey is UMYWKOXWQVOFJR-YUCACXIGSA-N. The full InChI is InChI=1S/C42H29N3/c1-2-16-35(17-3-1)45-41-21-5-4-20-39(41)40-23-22-38(28-42(40)45)44-36-18-8-12-31(26-36)29-10-6-14-33(24-29)43-34-15-7-11-30(25-34)32-13-9-19-37(44)27-32/h1-28,43H/i4D,5D,20D,21D.

What are the key properties of 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?

7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene has a molecular weight of 579.74 g/mol, XLogP of 11.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is sourced from PubChem (CID 170652048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).