N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C81H56N2 — CID 137392093

About N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 137392093) has the molecular formula C81H56N2 and a molecular weight of 1057.35 g/mol. Its IUPAC name is N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• PubChem CID: 137392093
• Molecular Formula: C81H56N2
• Molecular Weight: 1057.35 g/mol
• Exact Mass: 1056.44
• IUPAC Name: N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C81H56N2/c1-81(2)76-34-12-10-28-69(76)70-46-45-63(52-77(70)81)82(62-43-38-54(39-44-62)58-40-49-79-75(51-58)71-29-11-13-35-78(71)83(79)60-24-4-3-5-25-60)61-41-36-53(37-42-61)57-22-14-23-59(50-57)66-47-48-74(68-31-16-21-56-19-7-9-27-65(56)68)80-72(66)32-17-33-73(80)67-30-15-20-55-18-6-8-26-64(55)67/h3-52H,1-2H3
• InChIKey: VCNPFBQQHABDOH-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.35
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 137392093) is N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.

What is the InChIKey of N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The InChIKey is VCNPFBQQHABDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H56N2/c1-81(2)76-34-12-10-28-69(76)70-46-45-63(52-77(70)81)82(62-43-38-54(39-44-62)58-40-49-79-75(51-58)71-29-11-13-35-78(71)83(79)60-24-4-3-5-25-60)61-41-36-53(37-42-61)57-22-14-23-59(50-57)66-47-48-74(68-31-16-21-56-19-7-9-27-65(56)68)80-72(66)32-17-33-73(80)67-30-15-20-55-18-6-8-26-64(55)67/h3-52H,1-2H3.

What are the key properties of N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 1057.35 g/mol, XLogP of 22.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 137392093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).