N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline

C65H68N2O — CID 154987362

IUPACN-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline
SMILESC=C/C=C(\C(C)/C=C\C=C/CC)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)ccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C65H68N2O/c1-11-13-14-16-20-46(3)61(19-12-2)66(54-33-27-48(28-34-54)47-21-17-15-18-22-47)55-35-29-50(30-36-55)53-32-42-63-59(44-53)58-43-52(31-41-62(58)67(63)56-37-39-57(68-10)40-38-56)49-23-25-51(26-24-49)60(65(7,8)9)45-64(4,5)6/h12-44,46,60H,2,11,45H2,1,3-10H3/b14-13-,20-16-,61-19+
InChIKeySVJSUHZKPWNJRA-URSXEOFJSA-N
MW893.27 g/mol
LogP18.73
Rot. Bonds15

About N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline

N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline (PubChem CID 154987362) has the molecular formula C65H68N2O and a molecular weight of 893.27 g/mol. Its IUPAC name is N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline
PubChem CID154987362
Molecular FormulaC65H68N2O
Molecular Weight893.27 g/mol
Exact Mass892.53
IUPAC NameN-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline
SMILESC=C/C=C(\C(C)/C=C\C=C/CC)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)ccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C65H68N2O/c1-11-13-14-16-20-46(3)61(19-12-2)66(54-33-27-48(28-34-54)47-21-17-15-18-22-47)55-35-29-50(30-36-55)53-32-42-63-59(44-53)58-43-52(31-41-62(58)67(63)56-37-39-57(68-10)40-38-56)49-23-25-51(26-24-49)60(65(7,8)9)45-64(4,5)6/h12-44,46,60H,2,11,45H2,1,3-10H3/b14-13-,20-16-,61-19+
InChIKeySVJSUHZKPWNJRA-URSXEOFJSA-N
XLogP18.73
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.27
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline with MolForge

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 154987360
N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 154986902
N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline
CID 154986914
N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine
CID 138705956
N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 146352245
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-ylphenyl)-6-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 146352295
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 154986884
N-[4-[6-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 161137558
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 162217373
9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine
CID 166997870
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline?
The IUPAC name of N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline (CID 154987362) is N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline.
What is the SMILES notation for N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline?
The canonical SMILES for N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline is C=C/C=C(\C(C)/C=C\C=C/CC)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)ccc2n3-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline?
The InChIKey is SVJSUHZKPWNJRA-URSXEOFJSA-N. The full InChI is InChI=1S/C65H68N2O/c1-11-13-14-16-20-46(3)61(19-12-2)66(54-33-27-48(28-34-54)47-21-17-15-18-22-47)55-35-29-50(30-36-55)53-32-42-63-59(44-53)58-43-52(31-41-62(58)67(63)56-37-39-57(68-10)40-38-56)49-23-25-51(26-24-49)60(65(7,8)9)45-64(4,5)6/h12-44,46,60H,2,11,45H2,1,3-10H3/b14-13-,20-16-,61-19+.
What are the key properties of N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline?
N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline has a molecular weight of 893.27 g/mol, XLogP of 18.73, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-methoxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-[(3E,6Z,8Z)-5-methylundeca-1,3,6,8-tetraen-4-yl]-4-phenylaniline is sourced from PubChem (CID 154987362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).