(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine

C25H29NO — CID 139095651

IUPAC(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine
SMILESCOc1ccc2nc(-c3ccc(C)cc3)c3c(c2c1)CC[C@@H](C(C)(C)C)C3
InChIInChI=1S/C25H29NO/c1-16-6-8-17(9-7-16)24-22-14-18(25(2,3)4)10-12-20(22)21-15-19(27-5)11-13-23(21)26-24/h6-9,11,13,15,18H,10,12,14H2,1-5H3/t18-/m1/s1
InChIKeyIJLUQSIAXOKSRL-GOSISDBHSA-N
MW359.51 g/mol
LogP6.37
Rot. Bonds2

About (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine

(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine (PubChem CID 139095651) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine.

Molecular Properties

Compound Name(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine
PubChem CID139095651
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine
SMILESCOc1ccc2nc(-c3ccc(C)cc3)c3c(c2c1)CC[C@@H](C(C)(C)C)C3
InChIInChI=1S/C25H29NO/c1-16-6-8-17(9-7-16)24-22-14-18(25(2,3)4)10-12-20(22)21-15-19(27-5)11-13-23(21)26-24/h6-9,11,13,15,18H,10,12,14H2,1-5H3/t18-/m1/s1
InChIKeyIJLUQSIAXOKSRL-GOSISDBHSA-N
XLogP6.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 65335189
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
methyl 6-tert-butyl-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4188526
2-(4-methylphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3272240
6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline
CID 141477658
2-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983774
(2S)-2-[(1S)-1-bromo-1-chloroethyl]-8-methoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline
CID 1427502

Frequently Asked Questions

What is the IUPAC name of (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine?
The IUPAC name of (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine (CID 139095651) is (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine.
What is the SMILES notation for (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine?
The canonical SMILES for (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine is COc1ccc2nc(-c3ccc(C)cc3)c3c(c2c1)CC[C@@H](C(C)(C)C)C3.
What is the InChIKey of (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine?
The InChIKey is IJLUQSIAXOKSRL-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29NO/c1-16-6-8-17(9-7-16)24-22-14-18(25(2,3)4)10-12-20(22)21-15-19(27-5)11-13-23(21)26-24/h6-9,11,13,15,18H,10,12,14H2,1-5H3/t18-/m1/s1.
What are the key properties of (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine?
(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine has a molecular weight of 359.51 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine is sourced from PubChem (CID 139095651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).