4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C58H36N2 — CID 130325704

About 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 130325704) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

• Compound Name: 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
• PubChem CID: 130325704
• Molecular Formula: C58H36N2
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.29
• IUPAC Name: 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ncc6c7c(cccc57)-c5ccccc5-6)c4)cc32)cc1
• InChI: InChI=1S/C58H36N2/c1-3-16-40(17-4-1)58(41-18-5-2-6-19-41)52-27-11-9-23-45(52)46-31-29-38(35-53(46)58)37-30-32-55-50(34-37)47-24-10-12-28-54(47)60(55)42-20-13-15-39(33-42)57-49-26-14-25-48-43-21-7-8-22-44(43)51(36-59-57)56(48)49/h1-36H
• InChIKey: LEWZDZLDSQYOFS-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The IUPAC name of 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 130325704) is 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

What is the SMILES notation for 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The canonical SMILES for 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ncc6c7c(cccc57)-c5ccccc5-6)c4)cc32)cc1.

What is the InChIKey of 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The InChIKey is LEWZDZLDSQYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-3-16-40(17-4-1)58(41-18-5-2-6-19-41)52-27-11-9-23-45(52)46-31-29-38(35-53(46)58)37-30-32-55-50(34-37)47-24-10-12-28-54(47)60(55)42-20-13-15-39(33-42)57-49-26-14-25-48-43-21-7-8-22-44(43)51(36-59-57)56(48)49/h1-36H.

What are the key properties of 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 760.94 g/mol, XLogP of 14.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 130325704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).