7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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

C54H35N3O — CID 170651884

About 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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 170651884) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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: 170651884
• Molecular Formula: C54H35N3O
• Molecular Weight: 741.89 g/mol
• Exact Mass: 741.28
• IUPAC Name: 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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: c1ccc(-n2c3ccccc3c3c(N4c5cccc(c5)-c5cccc(c5)N(c5ccc6c(c5)oc5ccccc56)c5cccc(c5)-c5cccc4c5)cccc32)cc1
• InChI: InChI=1S/C54H35N3O/c1-2-17-40(18-3-1)57-49-25-6-4-24-48(49)54-50(26-12-27-51(54)57)56-43-21-10-15-38(33-43)36-13-8-19-41(31-36)55(42-20-9-14-37(32-42)39-16-11-22-44(56)34-39)45-29-30-47-46-23-5-7-28-52(46)58-53(47)35-45/h1-35H
• InChIKey: YFHNEZOGTWTTTA-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.89
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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 170651884) is 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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 c1ccc(-n2c3ccccc3c3c(N4c5cccc(c5)-c5cccc(c5)N(c5ccc6c(c5)oc5ccccc56)c5cccc(c5)-c5cccc4c5)cccc32)cc1.

What is the InChIKey of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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 YFHNEZOGTWTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-17-40(18-3-1)57-49-25-6-4-24-48(49)54-50(26-12-27-51(54)57)56-43-21-10-15-38(33-43)36-13-8-19-41(31-36)55(42-20-9-14-37(32-42)39-16-11-22-44(56)34-39)45-29-30-47-46-23-5-7-28-52(46)58-53(47)35-45/h1-35H.

What are the key properties of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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 741.89 g/mol, XLogP of 15.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-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 170651884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).