9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C64H45N5 — CID 155766506

About 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155766506) has the molecular formula C64H45N5 and a molecular weight of 884.10 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155766506
• Molecular Formula: C64H45N5
• Molecular Weight: 884.10 g/mol
• Exact Mass: 883.37
• IUPAC Name: 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C64H45N5/c1-64(2)55-21-11-9-19-51(55)52-36-34-50(41-56(52)64)66(47-30-25-43(26-31-47)42-15-5-3-6-16-42)48-32-27-44(28-33-48)45-29-37-61-62(39-45)69-60-24-14-12-22-57(60)65-63(69)68(61)49-35-38-59-54(40-49)53-20-10-13-23-58(53)67(59)46-17-7-4-8-18-46/h3-41H,1-2H3
• InChIKey: WBCFOUNLAVCEGC-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 30.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.10
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 155766506) is 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is WBCFOUNLAVCEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N5/c1-64(2)55-21-11-9-19-51(55)52-36-34-50(41-56(52)64)66(47-30-25-43(26-31-47)42-15-5-3-6-16-42)48-32-27-44(28-33-48)45-29-37-61-62(39-45)69-60-24-14-12-22-57(60)65-63(69)68(61)49-35-38-59-54(40-49)53-20-10-13-23-58(53)67(59)46-17-7-4-8-18-46/h3-41H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 884.10 g/mol, XLogP of 16.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155766506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).