N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine

C70H70N2 — CID 171416446

About N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine

N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (PubChem CID 171416446) has the molecular formula C70H70N2 and a molecular weight of 939.34 g/mol. Its IUPAC name is N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
• PubChem CID: 171416446
• Molecular Formula: C70H70N2
• Molecular Weight: 939.34 g/mol
• Exact Mass: 938.55
• IUPAC Name: N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
• SMILES: CC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)(c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)cc2)C1
• InChI: InChI=1S/C70H70N2/c1-48(2)53-18-15-39-70(47-53,55-27-33-60(34-28-55)71(57-19-10-6-11-20-57)59-31-25-54(26-32-59)69-44-49-40-50(45-69)42-51(41-49)46-69)56-29-35-61(36-30-56)72(58-21-12-7-13-22-58)62-37-38-64-66(43-62)68(3,4)65-24-14-23-63(67(64)65)52-16-8-5-9-17-52/h5-14,16-17,19-38,43,48-51,53H,15,18,39-42,44-47H2,1-4H3
• InChIKey: GRTSIJLGXKLBDR-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.34
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?

The IUPAC name of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine (CID 171416446) is N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is CC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)(c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)cc2)C1.

What is the InChIKey of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?

The InChIKey is GRTSIJLGXKLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70N2/c1-48(2)53-18-15-39-70(47-53,55-27-33-60(34-28-55)71(57-19-10-6-11-20-57)59-31-25-54(26-32-59)69-44-49-40-50(45-69)42-51(41-49)46-69)56-29-35-61(36-30-56)72(58-21-12-7-13-22-58)62-37-38-64-66(43-62)68(3,4)65-24-14-23-63(67(64)65)52-16-8-5-9-17-52/h5-14,16-17,19-38,43,48-51,53H,15,18,39-42,44-47H2,1-4H3.

What are the key properties of N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine?

N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine has a molecular weight of 939.34 g/mol, XLogP of 19.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 171416446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).