9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine

C81H62N4 — CID 123869735

IUPAC9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine
SMILESCC=CC(=CC(C)C)c1ccc(N(c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)n4)c3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C81H62N4/c1-6-21-55(46-52(2)3)54-38-41-62(42-39-54)85(64-43-45-69-65-30-10-14-34-71(65)80(4,5)75(69)51-64)63-29-20-26-58(49-63)57-25-19-28-60(48-57)78-82-77(59-27-18-24-56(47-59)53-22-8-7-9-23-53)83-79(84-78)61-40-44-70-68-33-13-17-37-74(68)81(76(70)50-61)72-35-15-11-31-66(72)67-32-12-16-36-73(67)81/h6-52H,1-5H3
InChIKeyZYKLAMGWUMZHDK-UHFFFAOYSA-N
MW1091.41 g/mol
LogP20.94
Rot. Bonds11

About 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine (PubChem CID 123869735) has the molecular formula C81H62N4 and a molecular weight of 1091.41 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine
PubChem CID123869735
Molecular FormulaC81H62N4
Molecular Weight1091.41 g/mol
Exact Mass1090.50
IUPAC Name9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine
SMILESCC=CC(=CC(C)C)c1ccc(N(c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)n4)c3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C81H62N4/c1-6-21-55(46-52(2)3)54-38-41-62(42-39-54)85(64-43-45-69-65-30-10-14-34-71(65)80(4,5)75(69)51-64)63-29-20-26-58(49-63)57-25-19-28-60(48-57)78-82-77(59-27-18-24-56(47-59)53-22-8-7-9-23-53)83-79(84-78)61-40-44-70-68-33-13-17-37-74(68)81(76(70)50-61)72-35-15-11-31-66(72)67-32-12-16-36-73(67)81/h6-52H,1-5H3
InChIKeyZYKLAMGWUMZHDK-UHFFFAOYSA-N
XLogP20.94
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.41
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

2-(3,5-diphenylphenyl)-4-[3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]-5-phenylphenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 144805599
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167610990
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine (CID 123869735) is 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine is CC=CC(=CC(C)C)c1ccc(N(c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)n4)c3)c2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine?
The InChIKey is ZYKLAMGWUMZHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H62N4/c1-6-21-55(46-52(2)3)54-38-41-62(42-39-54)85(64-43-45-69-65-30-10-14-34-71(65)80(4,5)75(69)51-64)63-29-20-26-58(49-63)57-25-19-28-60(48-57)78-82-77(59-27-18-24-56(47-59)53-22-8-7-9-23-53)83-79(84-78)61-40-44-70-68-33-13-17-37-74(68)81(76(70)50-61)72-35-15-11-31-66(72)67-32-12-16-36-73(67)81/h6-52H,1-5H3.
What are the key properties of 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine has a molecular weight of 1091.41 g/mol, XLogP of 20.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(6-methylhepta-2,4-dien-4-yl)phenyl]-N-[3-[3-[4-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 123869735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).