2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole

C37H24N2O — CID 126702335

IUPAC2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc3o2)cc1
InChIInChI=1S/C37H24N2O/c1-3-9-27(10-4-1)37-38-33-23-28(20-22-36(33)40-37)25-15-17-26(18-16-25)29-19-21-32-31-13-7-8-14-34(31)39(35(32)24-29)30-11-5-2-6-12-30/h1-24H
InChIKeyQZWAKPDTPRDKEZ-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.93
Rot. Bonds4

About 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole

2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 126702335) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
PubChem CID126702335
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Name2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc3o2)cc1
InChIInChI=1S/C37H24N2O/c1-3-9-27(10-4-1)37-38-33-23-28(20-22-36(33)40-37)25-15-17-26(18-16-25)29-19-21-32-31-13-7-8-14-34(31)39(35(32)24-29)30-11-5-2-6-12-30/h1-24H
InChIKeyQZWAKPDTPRDKEZ-UHFFFAOYSA-N
XLogP9.93
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
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-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
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-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole (CID 126702335) is 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2nc3cc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)ccc3o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is QZWAKPDTPRDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c1-3-9-27(10-4-1)37-38-33-23-28(20-22-36(33)40-37)25-15-17-26(18-16-25)29-19-21-32-31-13-7-8-14-34(31)39(35(32)24-29)30-11-5-2-6-12-30/h1-24H.
What are the key properties of 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole?
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 512.61 g/mol, XLogP of 9.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 126702335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).