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

C46H29N5O — CID 170681699

IUPAC5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-3-11-31(12-4-1)43-48-44(32-21-19-30(20-22-32)35-25-28-42-39(29-35)47-46(52-42)34-13-5-2-6-14-34)50-45(49-43)33-23-26-36(27-24-33)51-40-17-9-7-15-37(40)38-16-8-10-18-41(38)51/h1-29H
InChIKeyUWMVPHIGUBBYJK-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.44
Rot. Bonds6

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

5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 170681699) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID170681699
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C46H29N5O/c1-3-11-31(12-4-1)43-48-44(32-21-19-30(20-22-32)35-25-28-42-39(29-35)47-46(52-42)34-13-5-2-6-14-34)50-45(49-43)33-23-26-36(27-24-33)51-40-17-9-7-15-37(40)38-16-8-10-18-41(38)51/h1-29H
InChIKeyUWMVPHIGUBBYJK-UHFFFAOYSA-N
XLogP11.44
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole with MolForge

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Related Compounds

2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
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
2-phenyl-5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681528
2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
6-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 171756611
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole (CID 170681699) is 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is UWMVPHIGUBBYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-3-11-31(12-4-1)43-48-44(32-21-19-30(20-22-32)35-25-28-42-39(29-35)47-46(52-42)34-13-5-2-6-14-34)50-45(49-43)33-23-26-36(27-24-33)51-40-17-9-7-15-37(40)38-16-8-10-18-41(38)51/h1-29H.
What are the key properties of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 667.77 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 170681699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).