2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene

C46H40 — CID 144754286

IUPAC2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene
SMILESCCC(C)c1ccccc1-c1ccc2ccccc2c1.Cc1ccccc1-c1c(C)c2ccccc2c2c1ccc1ccccc12
InChIInChI=1S/C26H20.C20H20/c1-17-9-3-5-11-20(17)25-18(2)21-12-7-8-14-23(21)26-22-13-6-4-10-19(22)15-16-24(25)26;1-3-15(2)19-10-6-7-11-20(19)18-13-12-16-8-4-5-9-17(16)14-18/h3-16H,1-2H3;4-15H,3H2,1-2H3
InChIKeyAVFQGDOTRYCDMT-UHFFFAOYSA-N
MW592.83 g/mol
LogP13.45
Rot. Bonds4

About 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene

2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene (PubChem CID 144754286) has the molecular formula C46H40 and a molecular weight of 592.83 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene
PubChem CID144754286
Molecular FormulaC46H40
Molecular Weight592.83 g/mol
Exact Mass592.31
IUPAC Name2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene
SMILESCCC(C)c1ccccc1-c1ccc2ccccc2c1.Cc1ccccc1-c1c(C)c2ccccc2c2c1ccc1ccccc12
InChIInChI=1S/C26H20.C20H20/c1-17-9-3-5-11-20(17)25-18(2)21-12-7-8-14-23(21)26-22-13-6-4-10-19(22)15-16-24(25)26;1-3-15(2)19-10-6-7-11-20(19)18-13-12-16-8-4-5-9-17(16)14-18/h3-16H,1-2H3;4-15H,3H2,1-2H3
InChIKeyAVFQGDOTRYCDMT-UHFFFAOYSA-N
XLogP13.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.83
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene;8-methylnaphtho[1,2-b][1]benzothiole
CID 144754245
9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene
CID 174112861
7,25-bis(2-methylphenyl)-14,32-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-methylphenyl)-14,25-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,25-dinaphthalen-2-yl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-dinaphthalen-2-yl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 159627390
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
9-[2-butan-2-yl-6-[4-(4-methylphenyl)phenyl]phenyl]-10-methylphenanthrene;2-methylbutane;toluene
CID 144920267
1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
CID 145018366
6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene
CID 101396816
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
N-[4-[4-(2-butan-2-yl-6-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2-butan-2-yl-6-methylphenyl)naphthalen-1-amine
CID 118927464

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene?
The IUPAC name of 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene (CID 144754286) is 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene.
What is the SMILES notation for 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene?
The canonical SMILES for 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene is CCC(C)c1ccccc1-c1ccc2ccccc2c1.Cc1ccccc1-c1c(C)c2ccccc2c2c1ccc1ccccc12.
What is the InChIKey of 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene?
The InChIKey is AVFQGDOTRYCDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.C20H20/c1-17-9-3-5-11-20(17)25-18(2)21-12-7-8-14-23(21)26-22-13-6-4-10-19(22)15-16-24(25)26;1-3-15(2)19-10-6-7-11-20(19)18-13-12-16-8-4-5-9-17(16)14-18/h3-16H,1-2H3;4-15H,3H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene?
2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene has a molecular weight of 592.83 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 144754286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).