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

C68H52 — CID 72556064

IUPAC2-[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
SMILESC=C1C=CCCC1=CC(=C)C1=c2ccccc2=C(C2=CC3=C(C=CCC3)CC2)C2C=C(c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)C=CC12
InChIInChI=1S/C68H52/c1-43-15-3-4-19-48(43)37-44(2)65-57-23-11-12-24-58(57)67(55-31-28-46-17-6-9-21-50(46)39-55)63-41-52(33-35-61(63)65)53-34-36-62-64(42-53)68(56-32-29-47-18-7-10-22-51(47)40-56)60-26-14-13-25-59(60)66(62)54-30-27-45-16-5-8-20-49(45)38-54/h3,5-8,10-18,20,22-27,29-30,32-42,61,63H,1-2,4,9,19,21,28,31H2
InChIKeyKXKREQKTJZNGIG-UHFFFAOYSA-N
MW869.16 g/mol
LogP16.59
Rot. Bonds6

About 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

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 (PubChem CID 72556064) has the molecular formula C68H52 and a molecular weight of 869.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID72556064
Molecular FormulaC68H52
Molecular Weight869.16 g/mol
Exact Mass868.41
IUPAC Name2-[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
SMILESC=C1C=CCCC1=CC(=C)C1=c2ccccc2=C(C2=CC3=C(C=CCC3)CC2)C2C=C(c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)C=CC12
InChIInChI=1S/C68H52/c1-43-15-3-4-19-48(43)37-44(2)65-57-23-11-12-24-58(57)67(55-31-28-46-17-6-9-21-50(46)39-55)63-41-52(33-35-61(63)65)53-34-36-62-64(42-53)68(56-32-29-47-18-7-10-22-51(47)40-56)60-26-14-13-25-59(60)66(62)54-30-27-45-16-5-8-20-49(45)38-54/h3,5-8,10-18,20,22-27,29-30,32-42,61,63H,1-2,4,9,19,21,28,31H2
InChIKeyKXKREQKTJZNGIG-UHFFFAOYSA-N
XLogP16.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.16
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
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
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran
CID 163943962
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
CID 143617541
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C=CCCC1=CC(=C)C1=c2ccccc2=C(C2=CC3=C(C=CCC3)CC2)C2C=C(c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)C=CC12.
What is the InChIKey of 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?
The InChIKey is KXKREQKTJZNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52/c1-43-15-3-4-19-48(43)37-44(2)65-57-23-11-12-24-58(57)67(55-31-28-46-17-6-9-21-50(46)39-55)63-41-52(33-35-61(63)65)53-34-36-62-64(42-53)68(56-32-29-47-18-7-10-22-51(47)40-56)60-26-14-13-25-59(60)66(62)54-30-27-45-16-5-8-20-49(45)38-54/h3,5-8,10-18,20,22-27,29-30,32-42,61,63H,1-2,4,9,19,21,28,31H2.
What are the key properties of 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?
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 has a molecular weight of 869.16 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72556064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).