5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole

C35H28N2O — CID 59228151

IUPAC5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole
SMILESCc1cc(C(C)C)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C35H28N2O/c1-22(2)29-19-23(3)20-31-34(29)38-35(36-31)25-15-13-24(14-16-25)26-17-18-33-30(21-26)28-11-7-8-12-32(28)37(33)27-9-5-4-6-10-27/h4-22H,1-3H3
InChIKeyHUKBWYWAOVLWRC-UHFFFAOYSA-N
MW492.62 g/mol
LogP9.69
Rot. Bonds4

About 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole

5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole (PubChem CID 59228151) has the molecular formula C35H28N2O and a molecular weight of 492.62 g/mol. Its IUPAC name is 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole
PubChem CID59228151
Molecular FormulaC35H28N2O
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC Name5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole
SMILESCc1cc(C(C)C)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C35H28N2O/c1-22(2)29-19-23(3)20-31-34(29)38-35(36-31)25-15-13-24(14-16-25)26-17-18-33-30(21-26)28-11-7-8-12-32(28)37(33)27-9-5-4-6-10-27/h4-22H,1-3H3
InChIKeyHUKBWYWAOVLWRC-UHFFFAOYSA-N
XLogP9.69
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228064
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453652
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59227964
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole (CID 59228151) is 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole is Cc1cc(C(C)C)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.
What is the InChIKey of 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole?
The InChIKey is HUKBWYWAOVLWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O/c1-22(2)29-19-23(3)20-31-34(29)38-35(36-31)25-15-13-24(14-16-25)26-17-18-33-30(21-26)28-11-7-8-12-32(28)37(33)27-9-5-4-6-10-27/h4-22H,1-3H3.
What are the key properties of 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole?
5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole has a molecular weight of 492.62 g/mol, XLogP of 9.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 59228151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).