28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene

C60H35N5 — CID 130259718

About 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene

28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene (PubChem CID 130259718) has the molecular formula C60H35N5 and a molecular weight of 825.97 g/mol. Its IUPAC name is 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
• PubChem CID: 130259718
• Molecular Formula: C60H35N5
• Molecular Weight: 825.97 g/mol
• Exact Mass: 825.29
• IUPAC Name: 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n8c9ccc%10ccccc%10c9c(c65)c78)cc4)cc32)cc1
• InChI: InChI=1S/C60H35N5/c1-2-15-39(16-3-1)63-50-23-11-6-18-42(50)45-32-28-38(34-54(45)63)58-57(61-48-21-9-10-22-49(48)62-58)37-26-30-40(31-27-37)64-51-24-12-7-19-43(51)46-35-47-44-20-8-13-25-52(44)65-53-33-29-36-14-4-5-17-41(36)55(53)56(59(46)64)60(47)65/h1-35H
• InChIKey: UUIMKCYQVYNDDJ-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.97
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

The IUPAC name of 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene (CID 130259718) is 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene.

What is the SMILES notation for 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

The canonical SMILES for 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n8c9ccc%10ccccc%10c9c(c65)c78)cc4)cc32)cc1.

What is the InChIKey of 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

The InChIKey is UUIMKCYQVYNDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N5/c1-2-15-39(16-3-1)63-50-23-11-6-18-42(50)45-32-28-38(34-54(45)63)58-57(61-48-21-9-10-22-49(48)62-58)37-26-30-40(31-27-37)64-51-24-12-7-19-43(51)46-35-47-44-20-8-13-25-52(44)65-53-33-29-36-14-4-5-17-41(36)55(53)56(59(46)64)60(47)65/h1-35H.

What are the key properties of 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene?

28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene has a molecular weight of 825.97 g/mol, XLogP of 15.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 28-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene is sourced from PubChem (CID 130259718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).