2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole

C55H35N3O — CID 137473457

IUPAC2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-n5c6ccccc6c6ccccc65)c4)oc3c2)cc1
InChIInChI=1S/C55H35N3O/c1-3-15-36(16-4-1)40-34-48(38-17-5-2-6-18-38)54-53(35-40)59-55(56-54)41-31-39(32-43(33-41)58-51-25-13-9-21-46(51)47-22-10-14-26-52(47)58)37-27-29-42(30-28-37)57-49-23-11-7-19-44(49)45-20-8-12-24-50(45)57/h1-35H
InChIKeyQHNHHSXTTPEJQI-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.69
Rot. Bonds6

About 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole

2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole (PubChem CID 137473457) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole
PubChem CID137473457
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-n5c6ccccc6c6ccccc65)c4)oc3c2)cc1
InChIInChI=1S/C55H35N3O/c1-3-15-36(16-4-1)40-34-48(38-17-5-2-6-18-38)54-53(35-40)59-55(56-54)41-31-39(32-43(33-41)58-51-25-13-9-21-46(51)47-22-10-14-26-52(47)58)37-27-29-42(30-28-37)57-49-23-11-7-19-44(49)45-20-8-12-24-50(45)57/h1-35H
InChIKeyQHNHHSXTTPEJQI-UHFFFAOYSA-N
XLogP14.69
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,4-di(carbazol-9-yl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473426
2-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-4,6-dipyridin-3-yl-1,3-benzoxazole;2-(2,6-diphenylpyrimidin-4-yl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 159949573
4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole
CID 146670090
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137464
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole?
The IUPAC name of 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole (CID 137473457) is 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole?
The canonical SMILES for 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3)c3nc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-n5c6ccccc6c6ccccc65)c4)oc3c2)cc1.
What is the InChIKey of 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole?
The InChIKey is QHNHHSXTTPEJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-3-15-36(16-4-1)40-34-48(38-17-5-2-6-18-38)54-53(35-40)59-55(56-54)41-31-39(32-43(33-41)58-51-25-13-9-21-46(51)47-22-10-14-26-52(47)58)37-27-29-42(30-28-37)57-49-23-11-7-19-44(49)45-20-8-12-24-50(45)57/h1-35H.
What are the key properties of 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole?
2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole has a molecular weight of 753.91 g/mol, XLogP of 14.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole is sourced from PubChem (CID 137473457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).