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

C71H54N2 — CID 170304432

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine (PubChem CID 170304432) has the molecular formula C71H54N2 and a molecular weight of 935.23 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
• PubChem CID: 170304432
• Molecular Formula: C71H54N2
• Molecular Weight: 935.23 g/mol
• Exact Mass: 934.43
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1
• InChI: InChI=1S/C71H54N2/c1-5-22-49(23-6-1)57-35-19-24-51-25-20-37-62(69(51)57)61-33-14-17-39-66(61)72(55-44-42-50(43-45-55)58-36-21-41-68-70(58)63-34-15-18-40-67(63)73(68)54-30-11-4-12-31-54)56-46-47-60-59-32-13-16-38-64(59)71(65(60)48-56,52-26-7-2-8-27-52)53-28-9-3-10-29-53/h2-4,7-21,24-49H,1,5-6,22-23H2
• InChIKey: FAHZZRHAZSEYDC-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.23
LogP ≤ 5	19.15
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]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine (CID 170304432) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine.

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

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1.

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

The InChIKey is FAHZZRHAZSEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N2/c1-5-22-49(23-6-1)57-35-19-24-51-25-20-37-62(69(51)57)61-33-14-17-39-66(61)72(55-44-42-50(43-45-55)58-36-21-41-68-70(58)63-34-15-18-40-67(63)73(68)54-30-11-4-12-31-54)56-46-47-60-59-32-13-16-38-64(59)71(65(60)48-56,52-26-7-2-8-27-52)53-28-9-3-10-29-53/h2-4,7-21,24-49H,1,5-6,22-23H2.

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine has a molecular weight of 935.23 g/mol, XLogP of 19.15, 9 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]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170304432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).