N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine

C66H52N2 — CID 170304414

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (PubChem CID 170304414) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
• PubChem CID: 170304414
• Molecular Formula: C66H52N2
• Molecular Weight: 873.16 g/mol
• Exact Mass: 872.41
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
• InChI: InChI=1S/C66H52N2/c1-66(49-24-7-3-8-25-49)58-33-14-11-30-56(58)65-59(66)34-19-37-63(65)68(60-35-15-12-28-53(60)55-32-18-23-47-22-17-31-52(64(47)55)46-20-5-2-6-21-46)51-41-38-45(39-42-51)48-40-43-62-57(44-48)54-29-13-16-36-61(54)67(62)50-26-9-4-10-27-50/h3-4,7-19,22-44,46H,2,5-6,20-21H2,1H3
• InChIKey: SRJKDUYHOAMECF-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.16
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (CID 170304414) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

The InChIKey is SRJKDUYHOAMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-66(49-24-7-3-8-25-49)58-33-14-11-30-56(58)65-59(66)34-19-37-63(65)68(60-35-15-12-28-53(60)55-32-18-23-47-22-17-31-52(64(47)55)46-20-5-2-6-21-46)51-41-38-45(39-42-51)48-40-43-62-57(44-48)54-29-13-16-36-61(54)67(62)50-26-9-4-10-27-50/h3-4,7-19,22-44,46H,2,5-6,20-21H2,1H3.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine has a molecular weight of 873.16 g/mol, XLogP of 18.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 170304414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).