2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole

C39H24N4O — CID 134237440

IUPAC2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7o6)cc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C39H24N4O/c1-2-10-26(11-3-1)37-30-13-4-6-14-32(30)41-39(42-37)43-34-16-8-5-12-29(34)31-24-28(22-23-35(31)43)25-18-20-27(21-19-25)38-40-33-15-7-9-17-36(33)44-38/h1-24H
InChIKeyQTMFHXRCJGOYOI-UHFFFAOYSA-N
MW564.65 g/mol
LogP9.87
Rot. Bonds4

About 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole

2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 134237440) has the molecular formula C39H24N4O and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
PubChem CID134237440
Molecular FormulaC39H24N4O
Molecular Weight564.65 g/mol
Exact Mass564.20
IUPAC Name2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7o6)cc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C39H24N4O/c1-2-10-26(11-3-1)37-30-13-4-6-14-32(30)41-39(42-37)43-34-16-8-5-12-29(34)31-24-28(22-23-35(31)43)25-18-20-27(21-19-25)38-40-33-15-7-9-17-36(33)44-38/h1-24H
InChIKeyQTMFHXRCJGOYOI-UHFFFAOYSA-N
XLogP9.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole
CID 155366230
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 154595778
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole (CID 134237440) is 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7o6)cc5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is QTMFHXRCJGOYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O/c1-2-10-26(11-3-1)37-30-13-4-6-14-32(30)41-39(42-37)43-34-16-8-5-12-29(34)31-24-28(22-23-35(31)43)25-18-20-27(21-19-25)38-40-33-15-7-9-17-36(33)44-38/h1-24H.
What are the key properties of 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole has a molecular weight of 564.65 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 134237440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).