2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene

C65H46 — CID 143535613

IUPAC2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene
SMILESC/C=c1/ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c/c1=C/CC
InChIInChI=1S/C65H46/c1-3-15-47-38-51(33-26-42(47)4-2)63-56-22-11-9-20-54(56)62(55-21-10-12-23-57(55)63)46-31-27-45(28-32-46)50-36-37-60-61(41-50)65(53-35-30-44-17-6-8-19-49(44)40-53)59-25-14-13-24-58(59)64(60)52-34-29-43-16-5-7-18-48(43)39-52/h4-41H,3H2,1-2H3/b42-4-,47-15-
InChIKeyUAZOMOVBSOZVCX-ZHIRPLCHSA-N
MW827.08 g/mol
LogP16.93
Rot. Bonds6

About 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene

2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene (PubChem CID 143535613) has the molecular formula C65H46 and a molecular weight of 827.08 g/mol. Its IUPAC name is 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene
PubChem CID143535613
Molecular FormulaC65H46
Molecular Weight827.08 g/mol
Exact Mass826.36
IUPAC Name2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene
SMILESC/C=c1/ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c/c1=C/CC
InChIInChI=1S/C65H46/c1-3-15-47-38-51(33-26-42(47)4-2)63-56-22-11-9-20-54(56)62(55-21-10-12-23-57(55)63)46-31-27-45(28-32-46)50-36-37-60-61(41-50)65(53-35-30-44-17-6-8-19-49(44)40-53)59-25-14-13-24-58(59)64(60)52-34-29-43-16-5-7-18-48(43)39-52/h4-41H,3H2,1-2H3/b42-4-,47-15-
InChIKeyUAZOMOVBSOZVCX-ZHIRPLCHSA-N
XLogP16.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.08
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene with MolForge

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Related Compounds

N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
CID 143535561
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene (CID 143535613) is 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene is C/C=c1/ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c/c1=C/CC.
What is the InChIKey of 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is UAZOMOVBSOZVCX-ZHIRPLCHSA-N. The full InChI is InChI=1S/C65H46/c1-3-15-47-38-51(33-26-42(47)4-2)63-56-22-11-9-20-54(56)62(55-21-10-12-23-57(55)63)46-31-27-45(28-32-46)50-36-37-60-61(41-50)65(53-35-30-44-17-6-8-19-49(44)40-53)59-25-14-13-24-58(59)64(60)52-34-29-43-16-5-7-18-48(43)39-52/h4-41H,3H2,1-2H3/b42-4-,47-15-.
What are the key properties of 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 827.08 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 143535613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).