9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene

C44H30 — CID 152841086

IUPAC9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESC1=Cc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3ccccc3c2CC1
InChIInChI=1S/C44H30/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)43-38-17-7-9-19-40(38)44(41-20-10-8-18-39(41)43)42-28-34-13-3-4-14-35(34)36-15-5-6-16-37(36)42/h1-3,5-13,15-28H,4,14H2
InChIKeySYTGOUJWKITQAJ-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.26
Rot. Bonds3

About 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene

9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 152841086) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID152841086
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESC1=Cc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3ccccc3c2CC1
InChIInChI=1S/C44H30/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)43-38-17-7-9-19-40(38)44(41-20-10-8-18-39(41)43)42-28-34-13-3-4-14-35(34)36-15-5-6-16-37(36)42/h1-3,5-13,15-28H,4,14H2
InChIKeySYTGOUJWKITQAJ-UHFFFAOYSA-N
XLogP12.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 512.26
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

9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene (CID 152841086) is 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene is C1=Cc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3ccccc3c2CC1.
What is the InChIKey of 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is SYTGOUJWKITQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)43-38-17-7-9-19-40(38)44(41-20-10-8-18-39(41)43)42-28-34-13-3-4-14-35(34)36-15-5-6-16-37(36)42/h1-3,5-13,15-28H,4,14H2.
What are the key properties of 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene?
9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 558.72 g/mol, XLogP of 12.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 152841086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).