(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane

C48H48N2O2 — CID 160533610

IUPAC(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
SMILESC.CCn1c2ccc(C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)ccc21.CCn1c2ccc(C)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H25NO.C22H19NO.CH4/c1-6-26-22-9-7-15(2)13-20(22)21-14-19(8-10-23(21)26)25(27)24-17(4)11-16(3)12-18(24)5;1-3-23-20-11-9-15(2)13-18(20)19-14-17(10-12-21(19)23)22(24)16-7-5-4-6-8-16;/h7-14H,6H2,1-5H3;4-14H,3H2,1-2H3;1H4
InChIKeyQVWHVXPZTKSEFI-UHFFFAOYSA-N
MW684.92 g/mol
LogP12.27
Rot. Bonds6

About (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane

(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane (PubChem CID 160533610) has the molecular formula C48H48N2O2 and a molecular weight of 684.92 g/mol. Its IUPAC name is (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane.

Molecular Properties

Compound Name(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
PubChem CID160533610
Molecular FormulaC48H48N2O2
Molecular Weight684.92 g/mol
Exact Mass684.37
IUPAC Name(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
SMILESC.CCn1c2ccc(C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)ccc21.CCn1c2ccc(C)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H25NO.C22H19NO.CH4/c1-6-26-22-9-7-15(2)13-20(22)21-14-19(8-10-23(21)26)25(27)24-17(4)11-16(3)12-18(24)5;1-3-23-20-11-9-15(2)13-18(20)19-14-17(10-12-21(19)23)22(24)16-7-5-4-6-8-16;/h7-14H,6H2,1-5H3;4-14H,3H2,1-2H3;1H4
InChIKeyQVWHVXPZTKSEFI-UHFFFAOYSA-N
XLogP12.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.92
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane?
The IUPAC name of (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane (CID 160533610) is (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane.
What is the SMILES notation for (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane?
The canonical SMILES for (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane is C.CCn1c2ccc(C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)ccc21.CCn1c2ccc(C)cc2c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane?
The InChIKey is QVWHVXPZTKSEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO.C22H19NO.CH4/c1-6-26-22-9-7-15(2)13-20(22)21-14-19(8-10-23(21)26)25(27)24-17(4)11-16(3)12-18(24)5;1-3-23-20-11-9-15(2)13-18(20)19-14-17(10-12-21(19)23)22(24)16-7-5-4-6-8-16;/h7-14H,6H2,1-5H3;4-14H,3H2,1-2H3;1H4.
What are the key properties of (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane?
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane has a molecular weight of 684.92 g/mol, XLogP of 12.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane is sourced from PubChem (CID 160533610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).