10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene

C42H32 — CID 145000887

IUPAC10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
SMILESC=Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(C)cc4)ccc23)cc1/C=C\C
InChIInChI=1S/C42H32/c1-4-10-32-25-35(21-19-29(32)5-2)41-37-13-8-9-14-38(37)42(36-22-20-30-11-6-7-12-33(30)26-36)40-27-34(23-24-39(40)41)31-17-15-28(3)16-18-31/h4-27H,2H2,1,3H3/b10-4-
InChIKeyJIWNJYSDZYVURG-WMZJFQQLSA-N
MW536.72 g/mol
LogP12.13
Rot. Bonds5

About 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene

10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene (PubChem CID 145000887) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
PubChem CID145000887
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
SMILESC=Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(C)cc4)ccc23)cc1/C=C\C
InChIInChI=1S/C42H32/c1-4-10-32-25-35(21-19-29(32)5-2)41-37-13-8-9-14-38(37)42(36-22-20-30-11-6-7-12-33(30)26-36)40-27-34(23-24-39(40)41)31-17-15-28(3)16-18-31/h4-27H,2H2,1,3H3/b10-4-
InChIKeyJIWNJYSDZYVURG-WMZJFQQLSA-N
XLogP12.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143617537
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723

Frequently Asked Questions

What is the IUPAC name of 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene?
The IUPAC name of 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene (CID 145000887) is 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene.
What is the SMILES notation for 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene?
The canonical SMILES for 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene is C=Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(C)cc4)ccc23)cc1/C=C\C.
What is the InChIKey of 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene?
The InChIKey is JIWNJYSDZYVURG-WMZJFQQLSA-N. The full InChI is InChI=1S/C42H32/c1-4-10-32-25-35(21-19-29(32)5-2)41-37-13-8-9-14-38(37)42(36-22-20-30-11-6-7-12-33(30)26-36)40-27-34(23-24-39(40)41)31-17-15-28(3)16-18-31/h4-27H,2H2,1,3H3/b10-4-.
What are the key properties of 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene?
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene has a molecular weight of 536.72 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene is sourced from PubChem (CID 145000887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).