2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole

C35H28N2O — CID 71182016

IUPAC2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2nc3ccccc3o2)cc1
InChIInChI=1S/C35H28N2O/c1-21-9-11-25(12-10-21)26-13-15-31-28(19-26)29-20-27(34-23(3)17-22(2)18-24(34)4)14-16-32(29)37(31)35-36-30-7-5-6-8-33(30)38-35/h5-20H,1-4H3
InChIKeyYCFMFYRPOXGYPR-UHFFFAOYSA-N
MW492.62 g/mol
LogP9.49
Rot. Bonds3

About 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole

2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole (PubChem CID 71182016) has the molecular formula C35H28N2O and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole
PubChem CID71182016
Molecular FormulaC35H28N2O
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2nc3ccccc3o2)cc1
InChIInChI=1S/C35H28N2O/c1-21-9-11-25(12-10-21)26-13-15-31-28(19-26)29-20-27(34-23(3)17-22(2)18-24(34)4)14-16-32(29)37(31)35-36-30-7-5-6-8-33(30)38-35/h5-20H,1-4H3
InChIKeyYCFMFYRPOXGYPR-UHFFFAOYSA-N
XLogP9.49
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
2-[6,9-bis(1,3-benzoxazol-2-yl)carbazol-3-yl]-6-(4-phenylphenyl)-1,3-benzoxazole
CID 155366238
2-[6-(1,3-benzoxazol-2-yl)-9-[3-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366409
2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
CID 146370377
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502678
6-[3-[6-[2-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-2-[3-[9-(4-methylphenyl)-6-phenylcarbazol-3-yl]phenyl]-1,3-benzoxazole
CID 134331855
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 118502072

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole (CID 71182016) is 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole?
The InChIKey is YCFMFYRPOXGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O/c1-21-9-11-25(12-10-21)26-13-15-31-28(19-26)29-20-27(34-23(3)17-22(2)18-24(34)4)14-16-32(29)37(31)35-36-30-7-5-6-8-33(30)38-35/h5-20H,1-4H3.
What are the key properties of 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole?
2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole has a molecular weight of 492.62 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole is sourced from PubChem (CID 71182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).