N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline

C55H56N2O — CID 154986914

IUPACN,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline
SMILESCC(C)Oc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C55H56N2O/c1-38(2)58-48-31-29-47(30-32-48)57-52-33-25-42(39-19-21-41(22-20-39)51(55(6,7)8)37-54(3,4)5)35-49(52)50-36-43(26-34-53(50)57)40-23-27-46(28-24-40)56(44-15-11-9-12-16-44)45-17-13-10-14-18-45/h9-36,38,51H,37H2,1-8H3
InChIKeyDELWPMIANORKNT-UHFFFAOYSA-N
MW761.07 g/mol
LogP15.94
Rot. Bonds10

About N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline

N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline (PubChem CID 154986914) has the molecular formula C55H56N2O and a molecular weight of 761.07 g/mol. Its IUPAC name is N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline
PubChem CID154986914
Molecular FormulaC55H56N2O
Molecular Weight761.07 g/mol
Exact Mass760.44
IUPAC NameN,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline
SMILESCC(C)Oc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C55H56N2O/c1-38(2)58-48-31-29-47(30-32-48)57-52-33-25-42(39-19-21-41(22-20-39)51(55(6,7)8)37-54(3,4)5)35-49(52)50-36-43(26-34-53(50)57)40-23-27-46(28-24-40)56(44-15-11-9-12-16-44)45-17-13-10-14-18-45/h9-36,38,51H,37H2,1-8H3
InChIKeyDELWPMIANORKNT-UHFFFAOYSA-N
XLogP15.94
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.07
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
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-(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-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614173
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline?
The IUPAC name of 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) is N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline is CC(C)Oc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline?
The InChIKey is DELWPMIANORKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56N2O/c1-38(2)58-48-31-29-47(30-32-48)57-52-33-25-42(39-19-21-41(22-20-39)51(55(6,7)8)37-54(3,4)5)35-49(52)50-36-43(26-34-53(50)57)40-23-27-46(28-24-40)56(44-15-11-9-12-16-44)45-17-13-10-14-18-45/h9-36,38,51H,37H2,1-8H3.
What are the key properties of N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline?
N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline has a molecular weight of 761.07 g/mol, XLogP of 15.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[9-(4-propan-2-yloxyphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]aniline is sourced from PubChem (CID 154986914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).