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

C87H60N4 — CID 89213136

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

7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 89213136) has the molecular formula C87H60N4 and a molecular weight of 1161.46 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 89213136
• Molecular Formula: C87H60N4
• Molecular Weight: 1161.46 g/mol
• Exact Mass: 1160.48
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C87H60N4/c1-87(2)79-55-69(47-51-71(79)72-52-48-70(56-80(72)87)91-83-27-15-9-21-73(83)74-22-10-16-28-84(74)91)88(67-43-37-59(38-44-67)57-29-33-61(34-30-57)63-41-49-77-75-23-11-13-25-81(75)89(85(77)53-63)65-17-5-3-6-18-65)68-45-39-60(40-46-68)58-31-35-62(36-32-58)64-42-50-78-76-24-12-14-26-82(76)90(86(78)54-64)66-19-7-4-8-20-66/h3-56H,1-2H3
• InChIKey: HBWTVJZWDKCBTD-UHFFFAOYSA-N
• XLogP: 23.42
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1161.46
LogP ≤ 5	23.42
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,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (CID 89213136) is 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[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,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

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

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

The InChIKey is HBWTVJZWDKCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H60N4/c1-87(2)79-55-69(47-51-71(79)72-52-48-70(56-80(72)87)91-83-27-15-9-21-73(83)74-22-10-16-28-84(74)91)88(67-43-37-59(38-44-67)57-29-33-61(34-30-57)63-41-49-77-75-23-11-13-25-81(75)89(85(77)53-63)65-17-5-3-6-18-65)68-45-39-60(40-46-68)58-31-35-62(36-32-58)64-42-50-78-76-24-12-14-26-82(76)90(86(78)54-64)66-19-7-4-8-20-66/h3-56H,1-2H3.

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

7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1161.46 g/mol, XLogP of 23.42, 10 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,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 89213136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).