N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline

C92H83Br2N — CID 145001222

About N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline

N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline (PubChem CID 145001222) has the molecular formula C92H83Br2N and a molecular weight of 1362.49 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
• PubChem CID: 145001222
• Molecular Formula: C92H83Br2N
• Molecular Weight: 1362.49 g/mol
• Exact Mass: 1359.49
• IUPAC Name: N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
• SMILES: CCCc1ccc(-c2ccc(/C(=C\c3ccc(-c4ccc5c(c4)C4(CC5(C)C)CC(C)(C)c5ccc(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(CCC)cc8)cc7)cc6C)cc54)c(C)c3)Cc3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C92H83Br2N/c1-9-11-63-13-20-67(21-14-63)70-26-28-75(29-27-70)78(55-65-17-24-69(25-18-65)71-30-40-79(93)41-31-71)56-66-19-49-84(61(3)53-66)76-38-51-86-88(57-76)92(59-90(86,5)6)60-91(7,8)87-52-39-77(58-89(87)92)85-50-48-83(54-62(85)4)95(82-46-36-74(37-47-82)72-32-42-80(94)43-33-72)81-44-34-73(35-45-81)68-22-15-64(12-10-2)16-23-68/h13-54,56-58H,9-12,55,59-60H2,1-8H3/b78-56-
• InChIKey: HDQAOUKPAHURMK-IEGQUKBYSA-N
• XLogP: 26.64
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1362.49
LogP ≤ 5	26.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline?

The IUPAC name of N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline (CID 145001222) is N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline.

What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline?

The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline is CCCc1ccc(-c2ccc(/C(=C\c3ccc(-c4ccc5c(c4)C4(CC5(C)C)CC(C)(C)c5ccc(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(CCC)cc8)cc7)cc6C)cc54)c(C)c3)Cc3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline?

The InChIKey is HDQAOUKPAHURMK-IEGQUKBYSA-N. The full InChI is InChI=1S/C92H83Br2N/c1-9-11-63-13-20-67(21-14-63)70-26-28-75(29-27-70)78(55-65-17-24-69(25-18-65)71-30-40-79(93)41-31-71)56-66-19-49-84(61(3)53-66)76-38-51-86-88(57-76)92(59-90(86,5)6)60-91(7,8)87-52-39-77(58-89(87)92)85-50-48-83(54-62(85)4)95(82-46-36-74(37-47-82)72-32-42-80(94)43-33-72)81-44-34-73(35-45-81)68-22-15-64(12-10-2)16-23-68/h13-54,56-58H,9-12,55,59-60H2,1-8H3/b78-56-.

What are the key properties of N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline?

N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline has a molecular weight of 1362.49 g/mol, XLogP of 26.64, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline is sourced from PubChem (CID 145001222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).