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

C67H64N2O — CID 154987360

IUPAC4-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
SMILESCC(C)Oc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C67H64N2O/c1-46(2)70-60-39-37-59(38-40-60)69-64-41-29-54(51-19-21-53(22-20-51)63(67(6,7)8)45-66(3,4)5)43-61(64)62-44-55(30-42-65(62)69)52-27-35-58(36-28-52)68(56-31-23-49(24-32-56)47-15-11-9-12-16-47)57-33-25-50(26-34-57)48-17-13-10-14-18-48/h9-44,46,63H,45H2,1-8H3
InChIKeyDTBGYMNLCZHHOT-UHFFFAOYSA-N
MW913.26 g/mol
LogP19.27
Rot. Bonds12

About 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

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 (PubChem CID 154987360) has the molecular formula C67H64N2O and a molecular weight of 913.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID154987360
Molecular FormulaC67H64N2O
Molecular Weight913.26 g/mol
Exact Mass912.50
IUPAC Name4-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
SMILESCC(C)Oc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C67H64N2O/c1-46(2)70-60-39-37-59(38-40-60)69-64-41-29-54(51-19-21-53(22-20-51)63(67(6,7)8)45-66(3,4)5)43-61(64)62-44-55(30-42-65(62)69)52-27-35-58(36-28-52)68(56-31-23-49(24-32-56)47-15-11-9-12-16-47)57-33-25-50(26-34-57)48-17-13-10-14-18-48/h9-44,46,63H,45H2,1-8H3
InChIKeyDTBGYMNLCZHHOT-UHFFFAOYSA-N
XLogP19.27
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.26
LogP ≤ 519.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[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-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
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-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1ccc(-n2c3ccc(-c4ccc(C(CC(C)(C)C)C(C)(C)C)cc4)cc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is DTBGYMNLCZHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H64N2O/c1-46(2)70-60-39-37-59(38-40-60)69-64-41-29-54(51-19-21-53(22-20-51)63(67(6,7)8)45-66(3,4)5)43-61(64)62-44-55(30-42-65(62)69)52-27-35-58(36-28-52)68(56-31-23-49(24-32-56)47-15-11-9-12-16-47)57-33-25-50(26-34-57)48-17-13-10-14-18-48/h9-44,46,63H,45H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 913.26 g/mol, XLogP of 19.27, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154987360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).