22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene

C52H32N2 — CID 145085430

About 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene

22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene (PubChem CID 145085430) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene.

Molecular Properties

• Compound Name: 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
• PubChem CID: 145085430
• Molecular Formula: C52H32N2
• Molecular Weight: 684.84 g/mol
• Exact Mass: 684.26
• IUPAC Name: 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccc7c5n6-c5ccccc5-c5cc6ccccc6cc5-7)ccc43)c2)cc1
• InChI: InChI=1S/C52H32N2/c1-2-12-33(13-3-1)34-16-10-17-39(28-34)53-48-22-8-7-19-41(48)46-31-37(24-26-50(46)53)38-25-27-51-47(32-38)43-21-11-20-42-45-30-36-15-5-4-14-35(36)29-44(45)40-18-6-9-23-49(40)54(51)52(42)43/h1-32H
• InChIKey: CXQUQFIAJKEKGA-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.84
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene?

The IUPAC name of 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene (CID 145085430) is 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene.

What is the SMILES notation for 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene?

The canonical SMILES for 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccc7c5n6-c5ccccc5-c5cc6ccccc6cc5-7)ccc43)c2)cc1.

What is the InChIKey of 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene?

The InChIKey is CXQUQFIAJKEKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-2-12-33(13-3-1)34-16-10-17-39(28-34)53-48-22-8-7-19-41(48)46-31-37(24-26-50(46)53)38-25-27-51-47(32-38)43-21-11-20-42-45-30-36-15-5-4-14-35(36)29-44(45)40-18-6-9-23-49(40)54(51)52(42)43/h1-32H.

What are the key properties of 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene?

22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene has a molecular weight of 684.84 g/mol, XLogP of 14.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene is sourced from PubChem (CID 145085430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).