1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene

C43H30 — CID 144681108

IUPAC1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene
SMILESC=Cc1ccccc1-c1cccc2c1c(C)c(-c1ccc3cc(-c4ccc5ccccc5c4)ccc3c1)c1ccccc12
InChIInChI=1S/C43H30/c1-3-29-11-6-7-14-37(29)39-17-10-18-41-38-15-8-9-16-40(38)42(28(2)43(39)41)36-24-23-34-26-33(21-22-35(34)27-36)32-20-19-30-12-4-5-13-31(30)25-32/h3-27H,1H2,2H3
InChIKeyASLSCVYZKUNIJX-UHFFFAOYSA-N
MW546.71 g/mol
LogP12.25
Rot. Bonds4

About 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene

1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene (PubChem CID 144681108) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene.

Molecular Properties

Compound Name1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene
PubChem CID144681108
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene
SMILESC=Cc1ccccc1-c1cccc2c1c(C)c(-c1ccc3cc(-c4ccc5ccccc5c4)ccc3c1)c1ccccc12
InChIInChI=1S/C43H30/c1-3-29-11-6-7-14-37(29)39-17-10-18-41-38-15-8-9-16-40(38)42(28(2)43(39)41)36-24-23-34-26-33(21-22-35(34)27-36)32-20-19-30-12-4-5-13-31(30)25-32/h3-27H,1H2,2H3
InChIKeyASLSCVYZKUNIJX-UHFFFAOYSA-N
XLogP12.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143617537
1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
CID 143856218
2-(2-ethenylphenyl)pyrene
CID 22250688
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708
9-(4-ethenylphenyl)-10-naphthalen-2-ylanthracene
CID 86076120
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene?
The IUPAC name of 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene (CID 144681108) is 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene.
What is the SMILES notation for 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene?
The canonical SMILES for 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene is C=Cc1ccccc1-c1cccc2c1c(C)c(-c1ccc3cc(-c4ccc5ccccc5c4)ccc3c1)c1ccccc12.
What is the InChIKey of 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene?
The InChIKey is ASLSCVYZKUNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-3-29-11-6-7-14-37(29)39-17-10-18-41-38-15-8-9-16-40(38)42(28(2)43(39)41)36-24-23-34-26-33(21-22-35(34)27-36)32-20-19-30-12-4-5-13-31(30)25-32/h3-27H,1H2,2H3.
What are the key properties of 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene?
1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene has a molecular weight of 546.71 g/mol, XLogP of 12.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene is sourced from PubChem (CID 144681108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).