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

C63H46N2 — CID 168790396

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

9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine (PubChem CID 168790396) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
• PubChem CID: 168790396
• Molecular Formula: C63H46N2
• Molecular Weight: 831.08 g/mol
• Exact Mass: 830.37
• IUPAC Name: 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21
• InChI: InChI=1S/C63H46N2/c1-63(2)57-30-16-14-26-52(57)56-42-49(38-40-58(56)63)64(60-32-18-29-51(45-21-8-4-9-22-45)62(60)55-28-13-12-25-50(55)44-19-6-3-7-20-44)48-36-33-43(34-37-48)46-35-39-54-53-27-15-17-31-59(53)65(61(54)41-46)47-23-10-5-11-24-47/h3-42H,1-2H3
• InChIKey: XVJVFAXLHZKRMN-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.08
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine (CID 168790396) is 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine.

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

The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21.

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

The InChIKey is XVJVFAXLHZKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)57-30-16-14-26-52(57)56-42-49(38-40-58(56)63)64(60-32-18-29-51(45-21-8-4-9-22-45)62(60)55-28-13-12-25-50(55)44-19-6-3-7-20-44)48-36-33-43(34-37-48)46-35-39-54-53-27-15-17-31-59(53)65(61(54)41-46)47-23-10-5-11-24-47/h3-42H,1-2H3.

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

9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine has a molecular weight of 831.08 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 168790396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).