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

C68H66N2O — CID 154986902

IUPACN-[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
SMILESCC(C)(C)CC(c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C68H66N2O/c1-66(2,3)46-63(67(4,5)6)53-22-20-51(21-23-53)54-30-42-64-61(44-54)62-45-55(31-43-65(62)70(64)59-38-40-60(41-39-59)71-68(7,8)9)52-28-36-58(37-29-52)69(56-32-24-49(25-33-56)47-16-12-10-13-17-47)57-34-26-50(27-35-57)48-18-14-11-15-19-48/h10-45,63H,46H2,1-9H3
InChIKeyCNAXXYCRPOFUDA-UHFFFAOYSA-N
MW927.29 g/mol
LogP19.66
Rot. Bonds11

About 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

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 (PubChem CID 154986902) has the molecular formula C68H66N2O and a molecular weight of 927.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID154986902
Molecular FormulaC68H66N2O
Molecular Weight927.29 g/mol
Exact Mass926.52
IUPAC NameN-[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
SMILESCC(C)(C)CC(c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC(C)(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C68H66N2O/c1-66(2,3)46-63(67(4,5)6)53-22-20-51(21-23-53)54-30-42-64-61(44-54)62-45-55(31-43-65(62)70(64)59-38-40-60(41-39-59)71-68(7,8)9)52-28-36-58(37-29-52)69(56-32-24-49(25-33-56)47-16-12-10-13-17-47)57-34-26-50(27-35-57)48-18-14-11-15-19-48/h10-45,63H,46H2,1-9H3
InChIKeyCNAXXYCRPOFUDA-UHFFFAOYSA-N
XLogP19.66
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.29
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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,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
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
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
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
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-[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
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CC(c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc2n3-c2ccc(OC(C)(C)C)cc2)cc1)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is CNAXXYCRPOFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H66N2O/c1-66(2,3)46-63(67(4,5)6)53-22-20-51(21-23-53)54-30-42-64-61(44-54)62-45-55(31-43-65(62)70(64)59-38-40-60(41-39-59)71-68(7,8)9)52-28-36-58(37-29-52)69(56-32-24-49(25-33-56)47-16-12-10-13-17-47)57-34-26-50(27-35-57)48-18-14-11-15-19-48/h10-45,63H,46H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 927.29 g/mol, XLogP of 19.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154986902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).