N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene

C51H56N2 — CID 144640383

About N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene

N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene (PubChem CID 144640383) has the molecular formula C51H56N2 and a molecular weight of 697.02 g/mol. Its IUPAC name is N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

• Compound Name: N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene
• PubChem CID: 144640383
• Molecular Formula: C51H56N2
• Molecular Weight: 697.02 g/mol
• Exact Mass: 696.44
• IUPAC Name: N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene
• SMILES: C=C/C=C(\C=C/C)C(C)C.CC.Cc1c(Nc2ccc(-c3ccc(N4c5ccccc5C(C)(C)C4c4ccccc4)cc3)cc2)ccc2ccccc12
• InChI: InChI=1S/C39H34N2.C10H16.C2H6/c1-27-34-14-8-7-11-30(34)21-26-36(27)40-32-22-17-28(18-23-32)29-19-24-33(25-20-29)41-37-16-10-9-15-35(37)39(2,3)38(41)31-12-5-4-6-13-31;1-5-7-10(8-6-2)9(3)4;1-2/h4-26,38,40H,1-3H3;5-9H,1H2,2-4H3;1-2H3/b;8-6-,10-7+
• InChIKey: DKHJEAWKCZXFLC-HTBWVHMBSA-N
• XLogP: 15.09
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.02
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	1
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-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene?

The IUPAC name of N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene (CID 144640383) is N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene.

What is the SMILES notation for N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene?

The canonical SMILES for N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene is C=C/C=C(\C=C/C)C(C)C.CC.Cc1c(Nc2ccc(-c3ccc(N4c5ccccc5C(C)(C)C4c4ccccc4)cc3)cc2)ccc2ccccc12.

What is the InChIKey of N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene?

The InChIKey is DKHJEAWKCZXFLC-HTBWVHMBSA-N. The full InChI is InChI=1S/C39H34N2.C10H16.C2H6/c1-27-34-14-8-7-11-30(34)21-26-36(27)40-32-22-17-28(18-23-32)29-19-24-33(25-20-29)41-37-16-10-9-15-35(37)39(2,3)38(41)31-12-5-4-6-13-31;1-5-7-10(8-6-2)9(3)4;1-2/h4-26,38,40H,1-3H3;5-9H,1H2,2-4H3;1-2H3/b;8-6-,10-7+;.

What are the key properties of N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene?

N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene has a molecular weight of 697.02 g/mol, XLogP of 15.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 144640383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).