9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene

C51H33N5 — CID 138602693

About 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene

9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene (PubChem CID 138602693) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene.

Molecular Properties

• Compound Name: 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene
• PubChem CID: 138602693
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene
• SMILES: c1ccc(-c2nc3nc(n2)-c2cccc(c2)-c2cccc(c2)N(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2cccc(c2)-c2cccc-3c2)cc1
• InChI: InChI=1S/C51H33N5/c1-3-13-34(14-4-1)49-52-50-39-19-9-15-35(29-39)37-17-11-23-42(31-37)55(43-24-12-18-38(32-43)36-16-10-20-40(30-36)51(53-49)54-50)44-27-28-48-46(33-44)45-25-7-8-26-47(45)56(48)41-21-5-2-6-22-41/h1-33H
• InChIKey: PQGKFTSPCFDPMC-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene?

The IUPAC name of 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene (CID 138602693) is 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene.

What is the SMILES notation for 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene?

The canonical SMILES for 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene is c1ccc(-c2nc3nc(n2)-c2cccc(c2)-c2cccc(c2)N(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2cccc(c2)-c2cccc-3c2)cc1.

What is the InChIKey of 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene?

The InChIKey is PQGKFTSPCFDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-13-34(14-4-1)49-52-50-39-19-9-15-35(29-39)37-17-11-23-42(31-37)55(43-24-12-18-38(32-43)36-16-10-20-40(30-36)51(53-49)54-50)44-27-28-48-46(33-44)45-25-7-8-26-47(45)56(48)41-21-5-2-6-22-41/h1-33H.

What are the key properties of 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene?

9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene has a molecular weight of 715.86 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene is sourced from PubChem (CID 138602693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).