9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene

C42H36 — CID 123176490

IUPAC9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
SMILESC1=CCC(C2=CC(C3=CCCC=C3)CC(c3c4c(c(-c5cccc6ccccc56)c5ccccc35)=CCCC=4)=C2)C=C1
InChIInChI=1S/C42H36/c1-3-14-29(15-4-1)32-26-33(30-16-5-2-6-17-30)28-34(27-32)41-37-21-9-11-23-39(37)42(40-24-12-10-22-38(40)41)36-25-13-19-31-18-7-8-20-35(31)36/h1,3-5,7-9,11,13-14,16-27,29,33H,2,6,10,12,15,28H2
InChIKeyQTDCPHKQAATTLT-UHFFFAOYSA-N
MW540.75 g/mol
LogP9.75
Rot. Bonds4

About 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene

9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene (PubChem CID 123176490) has the molecular formula C42H36 and a molecular weight of 540.75 g/mol. Its IUPAC name is 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene.

Molecular Properties

Compound Name9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
PubChem CID123176490
Molecular FormulaC42H36
Molecular Weight540.75 g/mol
Exact Mass540.28
IUPAC Name9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene
SMILESC1=CCC(C2=CC(C3=CCCC=C3)CC(c3c4c(c(-c5cccc6ccccc56)c5ccccc35)=CCCC=4)=C2)C=C1
InChIInChI=1S/C42H36/c1-3-14-29(15-4-1)32-26-33(30-16-5-2-6-17-30)28-34(27-32)41-37-21-9-11-23-39(37)42(40-24-12-10-22-38(40)41)36-25-13-19-31-18-7-8-20-35(31)36/h1,3-5,7-9,11,13-14,16-27,29,33H,2,6,10,12,15,28H2
InChIKeyQTDCPHKQAATTLT-UHFFFAOYSA-N
XLogP9.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene with MolForge

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Related Compounds

9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-phenylanthracene
CID 123534233
9-(3-cyclohexa-2,4-dien-1-yl-5-pent-2-enylphenyl)-10-(6,7-didehydronaphthalen-1-yl)-2,3-dihydroanthracene
CID 123918518
11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene
CID 123829528
9-[3-(6-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848226
4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-7,7a-dihydrobenzo[a]anthracene
CID 163827100
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
4-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]dibenzothiophene
CID 139307562
N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline
CID 89218150
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran
CID 155028273
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
CID 89061049

Frequently Asked Questions

What is the IUPAC name of 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene?
The IUPAC name of 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene (CID 123176490) is 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene.
What is the SMILES notation for 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene?
The canonical SMILES for 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene is C1=CCC(C2=CC(C3=CCCC=C3)CC(c3c4c(c(-c5cccc6ccccc56)c5ccccc35)=CCCC=4)=C2)C=C1.
What is the InChIKey of 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene?
The InChIKey is QTDCPHKQAATTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36/c1-3-14-29(15-4-1)32-26-33(30-16-5-2-6-17-30)28-34(27-32)41-37-21-9-11-23-39(37)42(40-24-12-10-22-38(40)41)36-25-13-19-31-18-7-8-20-35(31)36/h1,3-5,7-9,11,13-14,16-27,29,33H,2,6,10,12,15,28H2.
What are the key properties of 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene?
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene has a molecular weight of 540.75 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-2,3-dihydroanthracene is sourced from PubChem (CID 123176490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).