6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one

C27H27NO3 — CID 2848873

IUPAC6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one
SMILESCOc1ccc(C2Nc3c(ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc1OC
InChIInChI=1S/C27H27NO3/c1-27(2)14-20-24(21(29)15-27)19-11-9-16-7-5-6-8-18(16)26(19)28-25(20)17-10-12-22(30-3)23(13-17)31-4/h5-13,25,28H,14-15H2,1-4H3
InChIKeyFIKDPTJTESVIPF-UHFFFAOYSA-N
MW413.52 g/mol
LogP6.17
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one

6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one (PubChem CID 2848873) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one
PubChem CID2848873
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one
SMILESCOc1ccc(C2Nc3c(ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc1OC
InChIInChI=1S/C27H27NO3/c1-27(2)14-20-24(21(29)15-27)19-11-9-16-7-5-6-8-18(16)26(19)28-25(20)17-10-12-22(30-3)23(13-17)31-4/h5-13,25,28H,14-15H2,1-4H3
InChIKeyFIKDPTJTESVIPF-UHFFFAOYSA-N
XLogP6.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one with MolForge

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Related Compounds

5-(3,4-dimethoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[b]phenanthridin-4-one
CID 3096338
5-(4-fluorophenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
CID 2921508
[5-[(5R)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-methoxyphenyl] acetate
CID 1079452
(5S)-3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
CID 2296161
(4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7571677
[4-[(5S)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-methoxyphenyl] naphthalene-1-sulfonate
CID 7083783
9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione
CID 23909393
2-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]ethyl acetate
CID 2893237
5-[3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
CID 3122059
(2R,5S)-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 1282804
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
2-[2-[(6S)-9,9-dimethyl-7-oxo-5,6,8,10-tetrahydrobenzo[c]phenanthridin-6-yl]phenoxy]acetonitrile
CID 2172080

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one (CID 2848873) is 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one is COc1ccc(C2Nc3c(ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one?
The InChIKey is FIKDPTJTESVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-27(2)14-20-24(21(29)15-27)19-11-9-16-7-5-6-8-18(16)26(19)28-25(20)17-10-12-22(30-3)23(13-17)31-4/h5-13,25,28H,14-15H2,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one?
6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one has a molecular weight of 413.52 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-8,8-dimethyl-5,6,7,9-tetrahydrobenzo[c]phenanthridin-10-one is sourced from PubChem (CID 2848873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).