5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

C38H30N2O2 — CID 101427195

IUPAC5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(c(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)cc3ccccc13)O2
InChIInChI=1S/C38H30N2O2/c1-37(2)31-20-12-13-21-32(31)40(3)38(37)23-22-29-28-19-11-10-18-27(28)24-30(35(29)42-38)36-39-33(25-14-6-4-7-15-25)34(41-36)26-16-8-5-9-17-26/h4-24H,1-3H3
InChIKeyTVDGVWMOPIRGTQ-UHFFFAOYSA-N
MW546.67 g/mol
LogP9.36
Rot. Bonds3

About 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (PubChem CID 101427195) has the molecular formula C38H30N2O2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].

Molecular Properties

Compound Name5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
PubChem CID101427195
Molecular FormulaC38H30N2O2
Molecular Weight546.67 g/mol
Exact Mass546.23
IUPAC Name5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(c(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)cc3ccccc13)O2
InChIInChI=1S/C38H30N2O2/c1-37(2)31-20-12-13-21-32(31)40(3)38(37)23-22-29-28-19-11-10-18-27(28)24-30(35(29)42-38)36-39-33(25-14-6-4-7-15-25)34(41-36)26-16-8-5-9-17-26/h4-24H,1-3H3
InChIKeyTVDGVWMOPIRGTQ-UHFFFAOYSA-N
XLogP9.36
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] with MolForge

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Related Compounds

1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
CID 19084178
5-(1,3-benzothiazol-2-yl)-1',3',3',5'-tetramethylspiro[benzo[f]chromene-3,2'-indole]
CID 142761874
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
5-(1,3-benzothiazol-2-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 54312984
1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 59095537
(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 6581587
2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
CID 126495223
(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 139206872
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854
6-[2,6-bis(4-methylphenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]
CID 10908923
(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 2246263

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The IUPAC name of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (CID 101427195) is 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].
What is the SMILES notation for 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The canonical SMILES for 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1c(c(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)cc3ccccc13)O2.
What is the InChIKey of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The InChIKey is TVDGVWMOPIRGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O2/c1-37(2)31-20-12-13-21-32(31)40(3)38(37)23-22-29-28-19-11-10-18-27(28)24-30(35(29)42-38)36-39-33(25-14-6-4-7-15-25)34(41-36)26-16-8-5-9-17-26/h4-24H,1-3H3.
What are the key properties of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] has a molecular weight of 546.67 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is sourced from PubChem (CID 101427195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).