N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

C50H40N2 — CID 170378651

About N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (PubChem CID 170378651) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
• PubChem CID: 170378651
• Molecular Formula: C50H40N2
• Molecular Weight: 668.88 g/mol
• Exact Mass: 668.32
• IUPAC Name: N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
• SMILES: C=C/C=C\c1c(C)c2cc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5ccccc45)cc3)ccc2n1-c1ccccc1
• InChI: InChI=1S/C50H40N2/c1-5-6-22-47-34(2)44-32-37(26-31-49(44)52(47)38-17-8-7-9-18-38)35-24-27-39(28-25-35)51(48-23-14-16-36-15-10-11-19-41(36)48)40-29-30-43-42-20-12-13-21-45(42)50(3,4)46(43)33-40/h5-33H,1H2,2-4H3/b22-6-
• InChIKey: NDXXIRVGWIPHSD-HCDFXORVSA-N
• XLogP: 13.73
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.88
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

The IUPAC name of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (CID 170378651) is N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

What is the SMILES notation for N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

The canonical SMILES for N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is C=C/C=C\c1c(C)c2cc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5ccccc45)cc3)ccc2n1-c1ccccc1.

What is the InChIKey of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

The InChIKey is NDXXIRVGWIPHSD-HCDFXORVSA-N. The full InChI is InChI=1S/C50H40N2/c1-5-6-22-47-34(2)44-32-37(26-31-49(44)52(47)38-17-8-7-9-18-38)35-24-27-39(28-25-35)51(48-23-14-16-36-15-10-11-19-41(36)48)40-29-30-43-42-20-12-13-21-45(42)50(3,4)46(43)33-40/h5-33H,1H2,2-4H3/b22-6-.

What are the key properties of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine has a molecular weight of 668.88 g/mol, XLogP of 13.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 170378651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).