9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene

C48H30 — CID 59793080

IUPAC9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
SMILESc1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/C48H30/c1-3-15-35-33(13-1)29-45(39-19-7-5-17-37(35)39)31-25-27-32(28-26-31)47-41-21-9-11-23-43(41)48(44-24-12-10-22-42(44)47)46-30-34-14-2-4-16-36(34)38-18-6-8-20-40(38)46/h1-30H
InChIKeyBXODJWWHNWESOD-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene

9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene (PubChem CID 59793080) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
PubChem CID59793080
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
SMILESc1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/C48H30/c1-3-15-35-33(13-1)29-45(39-19-7-5-17-37(35)39)31-25-27-32(28-26-31)47-41-21-9-11-23-43(41)48(44-24-12-10-22-42(44)47)46-30-34-14-2-4-16-36(34)38-18-6-8-20-40(38)46/h1-30H
InChIKeyBXODJWWHNWESOD-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]boronic acid
CID 90071208
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene?
The IUPAC name of 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene (CID 59793080) is 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene?
The canonical SMILES for 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene is c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc1)c1ccccc12.
What is the InChIKey of 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene?
The InChIKey is BXODJWWHNWESOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-15-35-33(13-1)29-45(39-19-7-5-17-37(35)39)31-25-27-32(28-26-31)47-41-21-9-11-23-43(41)48(44-24-12-10-22-42(44)47)46-30-34-14-2-4-16-36(34)38-18-6-8-20-40(38)46/h1-30H.
What are the key properties of 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene?
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 59793080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).