1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene

C48H38 — CID 171415214

IUPAC1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene
SMILESCCCc1cc(-c2ccc3ccc4cccc5ccc2c3c45)c(CCC)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C48H38/c1-3-13-35-30-44(48-40-21-10-8-19-38(40)46(31-15-6-5-7-16-31)39-20-9-11-22-41(39)48)36(14-4-2)29-43(35)37-27-25-34-24-23-32-17-12-18-33-26-28-42(37)47(34)45(32)33/h5-12,15-30H,3-4,13-14H2,1-2H3
InChIKeyNNSWNPLELWTSOV-UHFFFAOYSA-N
MW614.83 g/mol
LogP13.80
Rot. Bonds7

About 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene

1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene (PubChem CID 171415214) has the molecular formula C48H38 and a molecular weight of 614.83 g/mol. Its IUPAC name is 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene.

Molecular Properties

Compound Name1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene
PubChem CID171415214
Molecular FormulaC48H38
Molecular Weight614.83 g/mol
Exact Mass614.30
IUPAC Name1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene
SMILESCCCc1cc(-c2ccc3ccc4cccc5ccc2c3c45)c(CCC)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C48H38/c1-3-13-35-30-44(48-40-21-10-8-19-38(40)46(31-15-6-5-7-16-31)39-20-9-11-22-41(39)48)36(14-4-2)29-43(35)37-27-25-34-24-23-32-17-12-18-33-26-28-42(37)47(34)45(32)33/h5-12,15-30H,3-4,13-14H2,1-2H3
InChIKeyNNSWNPLELWTSOV-UHFFFAOYSA-N
XLogP13.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.83
LogP ≤ 513.80
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

1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475
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-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
2-[2-(9,10-diphenylanthracen-2-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261371
1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
anthracene;chrysene;9,10-diphenylanthracene;naphthalene;pyrene
CID 174820118
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene?
The IUPAC name of 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene (CID 171415214) is 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene.
What is the SMILES notation for 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene?
The canonical SMILES for 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene is CCCc1cc(-c2ccc3ccc4cccc5ccc2c3c45)c(CCC)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene?
The InChIKey is NNSWNPLELWTSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38/c1-3-13-35-30-44(48-40-21-10-8-19-38(40)46(31-15-6-5-7-16-31)39-20-9-11-22-41(39)48)36(14-4-2)29-43(35)37-27-25-34-24-23-32-17-12-18-33-26-28-42(37)47(34)45(32)33/h5-12,15-30H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene?
1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene has a molecular weight of 614.83 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-phenylanthracen-9-yl)-2,5-dipropylphenyl]pyrene is sourced from PubChem (CID 171415214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).