2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol

C72H65N5O — CID 177093990

IUPAC2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c5ccccc5n(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c3)ccn2)cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C72H65N5O/c1-70(2,3)51-40-49(59-27-20-29-65-68(59)74-69(62-26-17-19-30-67(62)78)77(65)58-45-52(71(4,5)6)44-53(46-58)72(7,8)9)39-50(41-51)63-42-48(37-38-73-63)47-31-36-61-60-25-16-18-28-64(60)76(66(61)43-47)57-34-32-56(33-35-57)75(54-21-12-10-13-22-54)55-23-14-11-15-24-55/h10-46,78H,1-9H3
InChIKeyBHAZBVQSAVCNGM-UHFFFAOYSA-N
MW1016.35 g/mol
LogP19.25
Rot. Bonds9

About 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol

2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol (PubChem CID 177093990) has the molecular formula C72H65N5O and a molecular weight of 1016.35 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
PubChem CID177093990
Molecular FormulaC72H65N5O
Molecular Weight1016.35 g/mol
Exact Mass1015.52
IUPAC Name2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c5ccccc5n(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c3)ccn2)cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C72H65N5O/c1-70(2,3)51-40-49(59-27-20-29-65-68(59)74-69(62-26-17-19-30-67(62)78)77(65)58-45-52(71(4,5)6)44-53(46-58)72(7,8)9)39-50(41-51)63-42-48(37-38-73-63)47-31-36-61-60-25-16-18-28-64(60)76(66(61)43-47)57-34-32-56(33-35-57)75(54-21-12-10-13-22-54)55-23-14-11-15-24-55/h10-46,78H,1-9H3
InChIKeyBHAZBVQSAVCNGM-UHFFFAOYSA-N
XLogP19.25
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.35
LogP ≤ 519.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093914
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093698
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[4-[3-tert-butyl-5-[4-[9-[3-(N-phenylanilino)phenyl]carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177093995
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177093891
2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153481572
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-(2,6-dimethyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542380
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153478886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol (CID 177093990) is 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccc4c5ccccc5n(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c3)ccn2)cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is BHAZBVQSAVCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H65N5O/c1-70(2,3)51-40-49(59-27-20-29-65-68(59)74-69(62-26-17-19-30-67(62)78)77(65)58-45-52(71(4,5)6)44-53(46-58)72(7,8)9)39-50(41-51)63-42-48(37-38-73-63)47-31-36-61-60-25-16-18-28-64(60)76(66(61)43-47)57-34-32-56(33-35-57)75(54-21-12-10-13-22-54)55-23-14-11-15-24-55/h10-46,78H,1-9H3.
What are the key properties of 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 1016.35 g/mol, XLogP of 19.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 177093990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).