1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene

C48H30 — CID 164706329

IUPAC1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H30/c1-2-11-31(12-3-1)32-21-23-35(24-22-32)46-40-17-6-8-19-42(40)48(43-20-9-7-18-41(43)46)39-16-5-4-15-37(39)38-29-27-36-26-25-33-13-10-14-34-28-30-44(38)47(36)45(33)34/h1-30H
InChIKeyRTLWQRLMUGPLTF-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.56
Rot. Bonds4

About 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene

1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene (PubChem CID 164706329) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene.

Molecular Properties

Compound Name1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
PubChem CID164706329
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H30/c1-2-11-31(12-3-1)32-21-23-35(24-22-32)46-40-17-6-8-19-42(40)48(43-20-9-7-18-41(43)46)39-16-5-4-15-37(39)38-29-27-36-26-25-33-13-10-14-34-28-30-44(38)47(36)45(33)34/h1-30H
InChIKeyRTLWQRLMUGPLTF-UHFFFAOYSA-N
XLogP13.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.56
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

9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843
10-phenyl-7-pyren-1-ylbenzo[a]anthracene
CID 177078596
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene
CID 158695743
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322

Frequently Asked Questions

What is the IUPAC name of 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
The IUPAC name of 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene (CID 164706329) is 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene.
What is the SMILES notation for 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
The canonical SMILES for 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
The InChIKey is RTLWQRLMUGPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-11-31(12-3-1)32-21-23-35(24-22-32)46-40-17-6-8-19-42(40)48(43-20-9-7-18-41(43)46)39-16-5-4-15-37(39)38-29-27-36-26-25-33-13-10-14-34-28-30-44(38)47(36)45(33)34/h1-30H.
What are the key properties of 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene?
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene has a molecular weight of 606.77 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene is sourced from PubChem (CID 164706329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).