2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol

C54H46N2O2 — CID 67450875

IUPAC2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)(C)O)cc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H46N2O2/c1-53(2,57)48-36-52(56-50-21-13-11-19-45(50)46-20-12-14-22-51(46)56)49(54(3,4)58)35-47(48)41-27-33-44(34-28-41)55(42-29-23-39(24-30-42)37-15-7-5-8-16-37)43-31-25-40(26-32-43)38-17-9-6-10-18-38/h5-36,57-58H,1-4H3
InChIKeyKHEGKIFKBAOGSV-UHFFFAOYSA-N
MW754.97 g/mol
LogP13.71
Rot. Bonds9

About 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol

2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol (PubChem CID 67450875) has the molecular formula C54H46N2O2 and a molecular weight of 754.97 g/mol. Its IUPAC name is 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
PubChem CID67450875
Molecular FormulaC54H46N2O2
Molecular Weight754.97 g/mol
Exact Mass754.36
IUPAC Name2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)(C)O)cc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H46N2O2/c1-53(2,57)48-36-52(56-50-21-13-11-19-45(50)46-20-12-14-22-51(46)56)49(54(3,4)58)35-47(48)41-27-33-44(34-28-41)55(42-29-23-39(24-30-42)37-15-7-5-8-16-37)43-31-25-40(26-32-43)38-17-9-6-10-18-38/h5-36,57-58H,1-4H3
InChIKeyKHEGKIFKBAOGSV-UHFFFAOYSA-N
XLogP13.71
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.97
LogP ≤ 513.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
CID 141315844
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 164832068
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
4-(2-carbazol-9-ylphenyl)-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 167528490
4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828070

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol (CID 67450875) is 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol is CC(C)(O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)(C)O)cc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
The InChIKey is KHEGKIFKBAOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2O2/c1-53(2,57)48-36-52(56-50-21-13-11-19-45(50)46-20-12-14-22-51(46)56)49(54(3,4)58)35-47(48)41-27-33-44(34-28-41)55(42-29-23-39(24-30-42)37-15-7-5-8-16-37)43-31-25-40(26-32-43)38-17-9-6-10-18-38/h5-36,57-58H,1-4H3.
What are the key properties of 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol?
2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol has a molecular weight of 754.97 g/mol, XLogP of 13.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 67450875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).