28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene

C48H29N5 — CID 145198797

About 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene

28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene (PubChem CID 145198797) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
• PubChem CID: 145198797
• Molecular Formula: C48H29N5
• Molecular Weight: 675.80 g/mol
• Exact Mass: 675.24
• IUPAC Name: 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
• SMILES: C1=Cc2c(c3ccccc3n2-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c43)c56)c3ccccc3n2)CC1
• InChI: InChI=1S/C48H29N5/c1-2-14-29-28(13-1)25-26-42-43(29)44-45-35(32-17-6-9-21-38(32)51(42)45)27-36-33-18-7-12-24-41(33)53(46(36)44)47-34-19-3-8-20-37(34)49-48(50-47)52-39-22-10-4-15-30(39)31-16-5-11-23-40(31)52/h1-4,6-15,17-27H,5,16H2
• InChIKey: SNOJYYOPYUGOEI-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.80
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?

The IUPAC name of 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene (CID 145198797) is 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene.

What is the SMILES notation for 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?

The canonical SMILES for 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene is C1=Cc2c(c3ccccc3n2-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c43)c56)c3ccccc3n2)CC1.

What is the InChIKey of 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?

The InChIKey is SNOJYYOPYUGOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c1-2-14-29-28(13-1)25-26-42-43(29)44-45-35(32-17-6-9-21-38(32)51(42)45)27-36-33-18-7-12-24-41(33)53(46(36)44)47-34-19-3-8-20-37(34)49-48(50-47)52-39-22-10-4-15-30(39)31-16-5-11-23-40(31)52/h1-4,6-15,17-27H,5,16H2.

What are the key properties of 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene?

28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene has a molecular weight of 675.80 g/mol, XLogP of 11.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 28-[2-(3,4-dihydrocarbazol-9-yl)quinazolin-4-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene is sourced from PubChem (CID 145198797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).