4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol

C36H30O — CID 163875328

IUPAC4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(c2c3c(c(-c4ccc(C5=CC=CCC5)c5ccccc45)c4ccccc24)C=CCC3)CC1
InChIInChI=1S/C36H30O/c37-26-20-18-25(19-21-26)35-30-14-6-8-16-32(30)36(33-17-9-7-15-31(33)35)34-23-22-27(24-10-2-1-3-11-24)28-12-4-5-13-29(28)34/h1-2,4-6,8-10,12-14,16-18,20,22-23,37H,3,7,11,15,19,21H2
InChIKeyPOJAVLWLHIPLGV-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.97
Rot. Bonds3

About 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol

4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol (PubChem CID 163875328) has the molecular formula C36H30O and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
PubChem CID163875328
Molecular FormulaC36H30O
Molecular Weight478.64 g/mol
Exact Mass478.23
IUPAC Name4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(c2c3c(c(-c4ccc(C5=CC=CCC5)c5ccccc45)c4ccccc24)C=CCC3)CC1
InChIInChI=1S/C36H30O/c37-26-20-18-25(19-21-26)35-30-14-6-8-16-32(30)36(33-17-9-7-15-31(33)35)34-23-22-27(24-10-2-1-3-11-24)28-12-4-5-13-29(28)34/h1-2,4-6,8-10,12-14,16-18,20,22-23,37H,3,7,11,15,19,21H2
InChIKeyPOJAVLWLHIPLGV-UHFFFAOYSA-N
XLogP9.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol with MolForge

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Related Compounds

6-[10-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
CID 88562000
3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
CID 170044712
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
9-phenyl-10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracene
CID 145174557
17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene
CID 123536442
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
2-[2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170126361
1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene
CID 123183318
3-methyl-6-[10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 145303264
2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
CID 88558283
ethane;3-methyl-6-[10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 145303263

Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol (CID 163875328) is 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol is OC1=CC=C(c2c3c(c(-c4ccc(C5=CC=CCC5)c5ccccc45)c4ccccc24)C=CCC3)CC1.
What is the InChIKey of 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol?
The InChIKey is POJAVLWLHIPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O/c37-26-20-18-25(19-21-26)35-30-14-6-8-16-32(30)36(33-17-9-7-15-31(33)35)34-23-22-27(24-10-2-1-3-11-24)28-12-4-5-13-29(28)34/h1-2,4-6,8-10,12-14,16-18,20,22-23,37H,3,7,11,15,19,21H2.
What are the key properties of 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol?
4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol has a molecular weight of 478.64 g/mol, XLogP of 9.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163875328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).