N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine

C60H46N2 — CID 170142818

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine (PubChem CID 170142818) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine.

Molecular Properties

• Compound Name: N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
• PubChem CID: 170142818
• Molecular Formula: C60H46N2
• Molecular Weight: 795.04 g/mol
• Exact Mass: 794.37
• IUPAC Name: N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
• InChI: InChI=1S/C60H46N2/c1-59(2)51-27-13-9-23-48(51)57-46(24-16-28-52(57)59)44-21-10-14-29-53(44)62(56-31-17-25-47-43-20-8-12-26-50(43)60(3,4)58(47)56)42-35-32-39(33-36-42)40-34-37-55-49(38-40)45-22-11-15-30-54(45)61(55)41-18-6-5-7-19-41/h5-38H,1-4H3
• InChIKey: YWOBOFBKWOLFJZ-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine (CID 170142818) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine.

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

The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.

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

The InChIKey is YWOBOFBKWOLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-59(2)51-27-13-9-23-48(51)57-46(24-16-28-52(57)59)44-21-10-14-29-53(44)62(56-31-17-25-47-43-20-8-12-26-50(43)60(3,4)58(47)56)42-35-32-39(33-36-42)40-34-37-55-49(38-40)45-22-11-15-30-54(45)61(55)41-18-6-5-7-19-41/h5-38H,1-4H3.

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

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine has a molecular weight of 795.04 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 170142818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).