N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine

C63H50N2 — CID 177287627

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 177287627) has the molecular formula C63H50N2 and a molecular weight of 835.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 177287627
• Molecular Formula: C63H50N2
• Molecular Weight: 835.11 g/mol
• Exact Mass: 834.40
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C63H50N2/c1-61(2)53-19-11-7-15-45(53)48-32-28-42(36-56(48)61)64(43-29-33-49-46-16-8-12-20-54(46)62(3,4)57(49)37-43)41-26-23-39(24-27-41)40-25-31-52-51-18-10-14-22-59(51)65(60(52)35-40)44-30-34-50-47-17-9-13-21-55(47)63(5,6)58(50)38-44/h7-38H,1-6H3
• InChIKey: GOBGJKSIFJNYAH-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.11
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine (CID 177287627) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is GOBGJKSIFJNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N2/c1-61(2)53-19-11-7-15-45(53)48-32-28-42(36-56(48)61)64(43-29-33-49-46-16-8-12-20-54(46)62(3,4)57(49)37-43)41-26-23-39(24-27-41)40-25-31-52-51-18-10-14-22-59(51)65(60(52)35-40)44-30-34-50-47-17-9-13-21-55(47)63(5,6)58(50)38-44/h7-38H,1-6H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 835.11 g/mol, XLogP of 16.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 177287627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).