7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene

C48H30 — CID 59412706

IUPAC7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
SMILESc1ccc(-c2c3ccccc3cc3c2ccc2cc(-c4ccc5c(ccc6c(-c7ccccc7)c7ccccc7cc65)c4)ccc23)cc1
InChIInChI=1S/C48H30/c1-3-11-31(12-4-1)47-41-17-9-7-15-35(41)29-45-39-23-19-33(27-37(39)21-25-43(45)47)34-20-24-40-38(28-34)22-26-44-46(40)30-36-16-8-10-18-42(36)48(44)32-13-5-2-6-14-32/h1-30H
InChIKeyCHNKVMSUCRDFHU-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene

7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene (PubChem CID 59412706) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene.

Molecular Properties

Compound Name7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
PubChem CID59412706
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene
SMILESc1ccc(-c2c3ccccc3cc3c2ccc2cc(-c4ccc5c(ccc6c(-c7ccccc7)c7ccccc7cc65)c4)ccc23)cc1
InChIInChI=1S/C48H30/c1-3-11-31(12-4-1)47-41-17-9-7-15-35(41)29-45-39-23-19-33(27-37(39)21-25-43(45)47)34-20-24-40-38(28-34)22-26-44-46(40)30-36-16-8-10-18-42(36)48(44)32-13-5-2-6-14-32/h1-30H
InChIKeyCHNKVMSUCRDFHU-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

7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
2-(4-benzo[a]anthracen-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167252711
7-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[a]anthracen-3-ol
CID 143552197
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene
CID 140776296
7-(6-phenylpyren-2-yl)benzo[a]anthracene
CID 177078612
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene?
The IUPAC name of 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene (CID 59412706) is 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene.
What is the SMILES notation for 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene?
The canonical SMILES for 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene is c1ccc(-c2c3ccccc3cc3c2ccc2cc(-c4ccc5c(ccc6c(-c7ccccc7)c7ccccc7cc65)c4)ccc23)cc1.
What is the InChIKey of 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene?
The InChIKey is CHNKVMSUCRDFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-11-31(12-4-1)47-41-17-9-7-15-35(41)29-45-39-23-19-33(27-37(39)21-25-43(45)47)34-20-24-40-38(28-34)22-26-44-46(40)30-36-16-8-10-18-42(36)48(44)32-13-5-2-6-14-32/h1-30H.
What are the key properties of 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene?
7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]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 7-phenyl-3-(7-phenylbenzo[a]anthracen-3-yl)benzo[a]anthracene is sourced from PubChem (CID 59412706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).