9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C49H32N2 — CID 134488126

About 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 134488126) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 134488126
• Molecular Formula: C49H32N2
• Molecular Weight: 648.81 g/mol
• Exact Mass: 648.26
• IUPAC Name: 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6Cc6c(-c8ccccc8)cccc6-7)c5ccc43)cc2)cc1
• InChI: InChI=1S/C49H32N2/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)50-43-22-9-7-17-39(43)48-46(50)29-30-47-49(48)40-18-8-10-23-44(40)51(47)45-24-12-21-38-37-20-11-19-36(41(37)31-42(38)45)34-15-5-2-6-16-34/h1-30H,31H2
• InChIKey: MDMDOYRVCLPDPD-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.81
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 134488126) is 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6Cc6c(-c8ccccc8)cccc6-7)c5ccc43)cc2)cc1.

What is the InChIKey of 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is MDMDOYRVCLPDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)50-43-22-9-7-17-39(43)48-46(50)29-30-47-49(48)40-18-8-10-23-44(40)51(47)45-24-12-21-38-37-20-11-19-36(41(37)31-42(38)45)34-15-5-2-6-16-34/h1-30H,31H2.

What are the key properties of 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 648.81 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(8-phenyl-9H-fluoren-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 134488126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).