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

C40H25N5O — CID 170681491

IUPAC6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5nc(-c6ccccc6)oc5c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C40H25N5O/c1-3-12-26(13-4-1)28-16-11-17-29(24-28)37-42-38(30-22-23-33-36(25-30)46-39(41-33)27-14-5-2-6-15-27)44-40(43-37)45-34-20-9-7-18-31(34)32-19-8-10-21-35(32)45/h1-25H
InChIKeyDZIYNYMQZHCJKH-UHFFFAOYSA-N
MW591.67 g/mol
LogP9.78
Rot. Bonds5

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

6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 170681491) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID170681491
Molecular FormulaC40H25N5O
Molecular Weight591.67 g/mol
Exact Mass591.21
IUPAC Name6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5nc(-c6ccccc6)oc5c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C40H25N5O/c1-3-12-26(13-4-1)28-16-11-17-29(24-28)37-42-38(30-22-23-33-36(25-30)46-39(41-33)27-14-5-2-6-15-27)44-40(43-37)45-34-20-9-7-18-31(34)32-19-8-10-21-35(32)45/h1-25H
InChIKeyDZIYNYMQZHCJKH-UHFFFAOYSA-N
XLogP9.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 171756611
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
5-[3-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzoxazol-2-yl]phenyl]carbazol-9-yl]-2-phenyl-1,3-benzoxazole
CID 168832535
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 153310091
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666

Frequently Asked Questions

What is the IUPAC name of 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (CID 170681491) is 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2cccc(-c3nc(-c4ccc5nc(-c6ccccc6)oc5c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is DZIYNYMQZHCJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c1-3-12-26(13-4-1)28-16-11-17-29(24-28)37-42-38(30-22-23-33-36(25-30)46-39(41-33)27-14-5-2-6-15-27)44-40(43-37)45-34-20-9-7-18-31(34)32-19-8-10-21-35(32)45/h1-25H.
What are the key properties of 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 591.67 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 170681491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).