9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene

C54H44 — CID 143046184

IUPAC9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene
SMILESCC/C=C(\C=C(/C)c1c(C)cc(C)cc1C)c1c2ccccc2c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C54H44/c1-6-17-40(32-37(5)50-35(3)30-34(2)31-36(50)4)51-42-20-9-13-24-46(42)53(47-25-14-10-21-43(47)51)54-48-26-15-11-22-44(48)52(45-23-12-16-27-49(45)54)41-29-28-38-18-7-8-19-39(38)33-41/h7-33H,6H2,1-5H3/b37-32+,40-17+
InChIKeyLJCVVWNEUQKYKP-DWHBLEJWSA-N
MW692.95 g/mol
LogP15.61
Rot. Bonds6

About 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene

9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene (PubChem CID 143046184) has the molecular formula C54H44 and a molecular weight of 692.95 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene
PubChem CID143046184
Molecular FormulaC54H44
Molecular Weight692.95 g/mol
Exact Mass692.34
IUPAC Name9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene
SMILESCC/C=C(\C=C(/C)c1c(C)cc(C)cc1C)c1c2ccccc2c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C54H44/c1-6-17-40(32-37(5)50-35(3)30-34(2)31-36(50)4)51-42-20-9-13-24-46(42)53(47-25-14-10-21-43(47)51)54-48-26-15-11-22-44(48)52(45-23-12-16-27-49(45)54)41-29-28-38-18-7-8-19-39(38)33-41/h7-33H,6H2,1-5H3/b37-32+,40-17+
InChIKeyLJCVVWNEUQKYKP-DWHBLEJWSA-N
XLogP15.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.95
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene
CID 168993997
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
CID 143043876
2-methyl-10-naphthalen-2-yl-9-prop-1-en-2-ylanthracene
CID 143445074
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine
CID 88554674
9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
CID 58590120
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
2-[(2E,4E)-4-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]hepta-2,4-dien-2-yl]-1,3-benzoxazole
CID 139394626
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene (CID 143046184) is 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene is CC/C=C(\C=C(/C)c1c(C)cc(C)cc1C)c1c2ccccc2c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene?
The InChIKey is LJCVVWNEUQKYKP-DWHBLEJWSA-N. The full InChI is InChI=1S/C54H44/c1-6-17-40(32-37(5)50-35(3)30-34(2)31-36(50)4)51-42-20-9-13-24-46(42)53(47-25-14-10-21-43(47)51)54-48-26-15-11-22-44(48)52(45-23-12-16-27-49(45)54)41-29-28-38-18-7-8-19-39(38)33-41/h7-33H,6H2,1-5H3/b37-32+,40-17+.
What are the key properties of 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene?
9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene has a molecular weight of 692.95 g/mol, XLogP of 15.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene is sourced from PubChem (CID 143046184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).