9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene

C46H38 — CID 72556056

IUPAC9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene
SMILESC=CC=CC(=C)C(=C)C=CC(=C)C1=c2ccccc2=C(C2=c3ccccc3=CCC2)C2C=C(c3ccc4ccccc4c3)C=CC12
InChIInChI=1S/C46H38/c1-5-6-14-31(2)32(3)23-24-33(4)45-41-20-11-12-21-42(41)46(40-22-13-18-35-16-9-10-19-39(35)40)44-30-38(27-28-43(44)45)37-26-25-34-15-7-8-17-36(34)29-37/h5-12,14-21,23-30,43-44H,1-4,13,22H2
InChIKeySQNMFFIYRAYRHW-UHFFFAOYSA-N
MW590.81 g/mol
LogP8.43
Rot. Bonds8

About 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene

9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene (PubChem CID 72556056) has the molecular formula C46H38 and a molecular weight of 590.81 g/mol. Its IUPAC name is 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene.

Molecular Properties

Compound Name9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene
PubChem CID72556056
Molecular FormulaC46H38
Molecular Weight590.81 g/mol
Exact Mass590.30
IUPAC Name9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene
SMILESC=CC=CC(=C)C(=C)C=CC(=C)C1=c2ccccc2=C(C2=c3ccccc3=CCC2)C2C=C(c3ccc4ccccc4c3)C=CC12
InChIInChI=1S/C46H38/c1-5-6-14-31(2)32(3)23-24-33(4)45-41-20-11-12-21-42(41)46(40-22-13-18-35-16-9-10-19-39(35)40)44-30-38(27-28-43(44)45)37-26-25-34-15-7-8-17-36(34)29-37/h5-12,14-21,23-30,43-44H,1-4,13,22H2
InChIKeySQNMFFIYRAYRHW-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[10-[3-(2-methylidenecyclohex-3-en-1-ylidene)prop-1-en-2-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracen-2-yl]-9,10-dinaphthalen-2-ylanthracene
CID 72556064
10-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-9-(4-naphthalen-2-ylphenyl)-2-phenyl-4a,9a-dihydroanthracene
CID 90728902
5-hexa-1,3,5-trien-2-yl-12-[1-(2-methyl-4-naphthalen-2-ylphenyl)prop-1-en-2-yl]-6,11-dihydrobenzo[10]annulene
CID 123287396
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143808839
1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene
CID 141019438
9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene
CID 123779654
2,3-dihydronaphthalen-1-ol;methane
CID 145444445
9-[3-(6-naphthalen-2-yl-4a,8a-dihydronaphthalen-2-yl)phenyl]phenanthrene
CID 140906445
[7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-11-yl)-1,2-dihydrophenanthren-2-yl]-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-(4-naphthalen-1-ylphenyl)-λ3-iodane
CID 163613765
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene?
The IUPAC name of 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene (CID 72556056) is 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene.
What is the SMILES notation for 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene?
The canonical SMILES for 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene is C=CC=CC(=C)C(=C)C=CC(=C)C1=c2ccccc2=C(C2=c3ccccc3=CCC2)C2C=C(c3ccc4ccccc4c3)C=CC12.
What is the InChIKey of 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene?
The InChIKey is SQNMFFIYRAYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38/c1-5-6-14-31(2)32(3)23-24-33(4)45-41-20-11-12-21-42(41)46(40-22-13-18-35-16-9-10-19-39(35)40)44-30-38(27-28-43(44)45)37-26-25-34-15-7-8-17-36(34)29-37/h5-12,14-21,23-30,43-44H,1-4,13,22H2.
What are the key properties of 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene?
9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene has a molecular weight of 590.81 g/mol, XLogP of 8.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydronaphthalen-1-yl)-10-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2-naphthalen-2-yl-4a,9a-dihydroanthracene is sourced from PubChem (CID 72556056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).