N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene

C72H54N2 — CID 144907547

About N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene

N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene (PubChem CID 144907547) has the molecular formula C72H54N2 and a molecular weight of 947.24 g/mol. Its IUPAC name is N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene.

Molecular Properties

• Compound Name: N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene
• PubChem CID: 144907547
• Molecular Formula: C72H54N2
• Molecular Weight: 947.24 g/mol
• Exact Mass: 946.43
• IUPAC Name: N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene
• SMILES: C1=CCC2C(=C1)c1ccc(-c3ccccc3-c3cccc(N(c4cccc5ccccc45)c4cccc5ccccc45)c3)cc1N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.C=CC
• InChI: InChI=1S/C69H48N2.C3H6/c1-3-25-51(26-4-1)69(52-27-5-2-6-28-52)63-36-15-13-34-59(63)60-43-41-54(46-64(60)69)71-67-37-16-14-35-61(67)62-42-40-50(45-68(62)71)56-31-12-11-30-55(56)49-24-17-29-53(44-49)70(65-38-18-22-47-20-7-9-32-57(47)65)66-39-19-23-48-21-8-10-33-58(48)66;1-3-2/h1-36,38-46,67H,37H2;3H,1H2,2H3
• InChIKey: QPYOVMVXRLSLRR-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.24
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene?

The IUPAC name of N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene (CID 144907547) is N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene.

What is the SMILES notation for N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene?

The canonical SMILES for N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene is C1=CCC2C(=C1)c1ccc(-c3ccccc3-c3cccc(N(c4cccc5ccccc45)c4cccc5ccccc45)c3)cc1N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.C=CC.

What is the InChIKey of N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene?

The InChIKey is QPYOVMVXRLSLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N2.C3H6/c1-3-25-51(26-4-1)69(52-27-5-2-6-28-52)63-36-15-13-34-59(63)60-43-41-54(46-64(60)69)71-67-37-16-14-35-61(67)62-42-40-50(45-68(62)71)56-31-12-11-30-55(56)49-24-17-29-53(44-49)70(65-38-18-22-47-20-7-9-32-57(47)65)66-39-19-23-48-21-8-10-33-58(48)66;1-3-2/h1-36,38-46,67H,37H2;3H,1H2,2H3.

What are the key properties of N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene?

N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene has a molecular weight of 947.24 g/mol, XLogP of 19.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene is sourced from PubChem (CID 144907547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).