20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene

C55H37N — CID 134580544

About 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene

20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene (PubChem CID 134580544) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene.

Molecular Properties

• Compound Name: 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
• PubChem CID: 134580544
• Molecular Formula: C55H37N
• Molecular Weight: 711.91 g/mol
• Exact Mass: 711.29
• IUPAC Name: 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-n5c6ccccc6c6ccccc6c6ccccc6c6ccccc65)cc4)cccc32)cc1
• InChI: InChI=1S/C55H37N/c1-3-18-39(19-4-1)55(40-20-5-2-6-21-40)50-30-14-11-28-49(50)54-42(29-17-31-51(54)55)38-34-36-41(37-35-38)56-52-32-15-12-26-47(52)45-24-9-7-22-43(45)44-23-8-10-25-46(44)48-27-13-16-33-53(48)56/h1-37H
• InChIKey: KDCWCWYYLAUCKQ-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.91
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?

The IUPAC name of 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene (CID 134580544) is 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene.

What is the SMILES notation for 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?

The canonical SMILES for 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(-n5c6ccccc6c6ccccc6c6ccccc6c6ccccc65)cc4)cccc32)cc1.

What is the InChIKey of 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?

The InChIKey is KDCWCWYYLAUCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-3-18-39(19-4-1)55(40-20-5-2-6-21-40)50-30-14-11-28-49(50)54-42(29-17-31-51(54)55)38-34-36-41(37-35-38)56-52-32-15-12-26-47(52)45-24-9-7-22-43(45)44-23-8-10-25-46(44)48-27-13-16-33-53(48)56/h1-37H.

What are the key properties of 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene?

20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene has a molecular weight of 711.91 g/mol, XLogP of 14.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene is sourced from PubChem (CID 134580544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).