7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

C81H56N4 — CID 89213155

About 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 89213155) has the molecular formula C81H56N4 and a molecular weight of 1085.37 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 89213155
• Molecular Formula: C81H56N4
• Molecular Weight: 1085.37 g/mol
• Exact Mass: 1084.45
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C81H56N4/c1-81(2)73-51-63(43-46-65(73)66-47-44-64(52-74(66)81)85-76-26-14-9-21-67(76)68-22-10-15-27-77(68)85)82(62-41-35-56(36-42-62)57-38-48-79-72(49-57)70-24-12-16-28-78(70)83(79)59-17-5-3-6-18-59)61-39-33-54(34-40-61)53-29-31-55(32-30-53)58-37-45-71-69-23-11-13-25-75(69)84(80(71)50-58)60-19-7-4-8-20-60/h3-52H,1-2H3
• InChIKey: BMZFTEFYUPQPCD-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.37
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (CID 89213155) is 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is BMZFTEFYUPQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H56N4/c1-81(2)73-51-63(43-46-65(73)66-47-44-64(52-74(66)81)85-76-26-14-9-21-67(76)68-22-10-15-27-77(68)85)82(62-41-35-56(36-42-62)57-38-48-79-72(49-57)70-24-12-16-28-78(70)83(79)59-17-5-3-6-18-59)61-39-33-54(34-40-61)53-29-31-55(32-30-53)58-37-45-71-69-23-11-13-25-75(69)84(80(71)50-58)60-19-7-4-8-20-60/h3-52H,1-2H3.

What are the key properties of 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1085.37 g/mol, XLogP of 21.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 89213155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).