N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine

C52H50N2 — CID 138705956

IUPACN-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine
SMILESCC(C)(C)CC(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1)C(C)(C)C
InChIInChI=1S/C52H50N2/c1-51(2,3)36-48(52(4,5)6)41-23-21-38(22-24-41)40-25-29-43(30-26-40)53(42-17-11-8-12-18-42)45-33-34-50-47(35-45)46-19-13-14-20-49(46)54(50)44-31-27-39(28-32-44)37-15-9-7-10-16-37/h7-35,48H,36H2,1-6H3
InChIKeyQZNKDMSLKRHKNV-UHFFFAOYSA-N
MW702.99 g/mol
LogP15.15
Rot. Bonds8

About N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine

N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine (PubChem CID 138705956) has the molecular formula C52H50N2 and a molecular weight of 702.99 g/mol. Its IUPAC name is N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine
PubChem CID138705956
Molecular FormulaC52H50N2
Molecular Weight702.99 g/mol
Exact Mass702.40
IUPAC NameN-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine
SMILESCC(C)(C)CC(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1)C(C)(C)C
InChIInChI=1S/C52H50N2/c1-51(2,3)36-48(52(4,5)6)41-23-21-38(22-24-41)40-25-29-43(30-26-40)53(42-17-11-8-12-18-42)45-33-34-50-47(35-45)46-19-13-14-20-49(46)54(50)44-31-27-39(28-32-44)37-15-9-7-10-16-37/h7-35,48H,36H2,1-6H3
InChIKeyQZNKDMSLKRHKNV-UHFFFAOYSA-N
XLogP15.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.99
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
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-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
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
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine?
The IUPAC name of N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine (CID 138705956) is N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine is CC(C)(C)CC(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1)C(C)(C)C.
What is the InChIKey of N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine?
The InChIKey is QZNKDMSLKRHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N2/c1-51(2,3)36-48(52(4,5)6)41-23-21-38(22-24-41)40-25-29-43(30-26-40)53(42-17-11-8-12-18-42)45-33-34-50-47(35-45)46-19-13-14-20-49(46)54(50)44-31-27-39(28-32-44)37-15-9-7-10-16-37/h7-35,48H,36H2,1-6H3.
What are the key properties of N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine?
N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine has a molecular weight of 702.99 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(4-phenylphenyl)-N-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 138705956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).