5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene

C48H32 — CID 143811534

IUPAC5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
SMILESC1=Cc2c(c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc3c2-c2cccc(-c3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C48H32/c1-2-14-33-28-35(26-24-31(33)12-1)34-15-11-16-36(29-34)47-41-20-7-9-22-43(41)48(44-23-10-8-21-42(44)47)45-30-37-27-25-32-13-3-4-17-38(32)46(37)40-19-6-5-18-39(40)45/h1-9,11-22,24-30H,10,23H2
InChIKeyIDIQBIJGLBRWLT-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.41
Rot. Bonds3

About 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene

5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene (PubChem CID 143811534) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
PubChem CID143811534
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
SMILESC1=Cc2c(c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc3c2-c2cccc(-c3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C48H32/c1-2-14-33-28-35(26-24-31(33)12-1)34-15-11-16-36(29-34)47-41-20-7-9-22-43(41)48(44-23-10-8-21-42(44)47)45-30-37-27-25-32-13-3-4-17-38(32)46(37)40-19-6-5-18-39(40)45/h1-9,11-22,24-30H,10,23H2
InChIKeyIDIQBIJGLBRWLT-UHFFFAOYSA-N
XLogP13.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.41
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

9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
CID 123600813
11-[3-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 171452821
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 152841086
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene (CID 143811534) is 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene is C1=Cc2c(c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc3c2-c2cccc(-c3ccc4ccccc4c3)c2)CC1.
What is the InChIKey of 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene?
The InChIKey is IDIQBIJGLBRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-2-14-33-28-35(26-24-31(33)12-1)34-15-11-16-36(29-34)47-41-20-7-9-22-43(41)48(44-23-10-8-21-42(44)47)45-30-37-27-25-32-13-3-4-17-38(32)46(37)40-19-6-5-18-39(40)45/h1-9,11-22,24-30H,10,23H2.
What are the key properties of 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene?
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene has a molecular weight of 608.78 g/mol, XLogP of 13.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene is sourced from PubChem (CID 143811534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).