10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene

C37H34 — CID 143477658

IUPAC10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene
SMILESC/C=C\c1c(C)c(-c2cc3ccccc3c3c2C=CCC3C)c2ccccc2c1-c1ccc(C)c(C)c1
InChIInChI=1S/C37H34/c1-6-12-29-26(5)36(31-16-9-10-17-32(31)37(29)28-20-19-23(2)25(4)21-28)34-22-27-14-7-8-15-30(27)35-24(3)13-11-18-33(34)35/h6-12,14-22,24H,13H2,1-5H3/b12-6-
InChIKeyJCAQVLBCQWMUMD-SDQBBNPISA-N
MW478.68 g/mol
LogP10.81
Rot. Bonds3

About 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene

10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene (PubChem CID 143477658) has the molecular formula C37H34 and a molecular weight of 478.68 g/mol. Its IUPAC name is 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene.

Molecular Properties

Compound Name10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene
PubChem CID143477658
Molecular FormulaC37H34
Molecular Weight478.68 g/mol
Exact Mass478.27
IUPAC Name10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene
SMILESC/C=C\c1c(C)c(-c2cc3ccccc3c3c2C=CCC3C)c2ccccc2c1-c1ccc(C)c(C)c1
InChIInChI=1S/C37H34/c1-6-12-29-26(5)36(31-16-9-10-17-32(31)37(29)28-20-19-23(2)25(4)21-28)34-22-27-14-7-8-15-30(27)35-24(3)13-11-18-33(34)35/h6-12,14-22,24H,13H2,1-5H3/b12-6-
InChIKeyJCAQVLBCQWMUMD-SDQBBNPISA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144775617
1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene
CID 91043371
4-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-1-yl]-2-methylphenyl]-5-methyl-9-naphthalen-2-ylpyrene
CID 145032184
9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
CID 91435871
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
4-(4-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine
CID 134321263
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
1-(2,3,4,5-tetramethyl-6-prop-1-enylphenyl)naphthalene
CID 159474503
6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol
CID 170285806
9-[6-[(2E,4Z)-6-[6-methyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]hexa-2,4-dien-3-yl]naphthalen-2-yl]phenanthrene
CID 143980808
2-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-4-phenylnaphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 167304376
3-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]phenyl]-9-(3-phenanthren-9-ylphenyl)phenanthrene
CID 143808978

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene?
The IUPAC name of 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene (CID 143477658) is 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene.
What is the SMILES notation for 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene?
The canonical SMILES for 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene is C/C=C\c1c(C)c(-c2cc3ccccc3c3c2C=CCC3C)c2ccccc2c1-c1ccc(C)c(C)c1.
What is the InChIKey of 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene?
The InChIKey is JCAQVLBCQWMUMD-SDQBBNPISA-N. The full InChI is InChI=1S/C37H34/c1-6-12-29-26(5)36(31-16-9-10-17-32(31)37(29)28-20-19-23(2)25(4)21-28)34-22-27-14-7-8-15-30(27)35-24(3)13-11-18-33(34)35/h6-12,14-22,24H,13H2,1-5H3/b12-6-.
What are the key properties of 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene?
10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene has a molecular weight of 478.68 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene is sourced from PubChem (CID 143477658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).