1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene

C46H28 — CID 142727128

IUPAC1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccc5ccc(-c6ccc7ccccc7c6)c6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C46H28/c1-2-11-30(12-3-1)44-38-14-6-8-16-40(38)45(41-17-9-7-15-39(41)44)36-27-34-21-19-31-22-24-37(42-25-23-35(28-36)43(34)46(31)42)33-20-18-29-10-4-5-13-32(29)26-33/h1-28H
InChIKeyIGTCVPJXQLTYFG-UHFFFAOYSA-N
MW580.73 g/mol
LogP13.04
Rot. Bonds3

About 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene

1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene (PubChem CID 142727128) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene.

Molecular Properties

Compound Name1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
PubChem CID142727128
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccc5ccc(-c6ccc7ccccc7c6)c6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C46H28/c1-2-11-30(12-3-1)44-38-14-6-8-16-40(38)45(41-17-9-7-15-39(41)44)36-27-34-21-19-31-22-24-37(42-25-23-35(28-36)43(34)46(31)42)33-20-18-29-10-4-5-13-32(29)26-33/h1-28H
InChIKeyIGTCVPJXQLTYFG-UHFFFAOYSA-N
XLogP13.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 513.04
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-[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
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
7-(6-phenylpyren-2-yl)benzo[a]anthracene
CID 177078612
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158
1-naphthalen-2-yl-6-[2-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]pyrene
CID 171415202
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826
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
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
4-naphthalen-2-yl-1,6-diphenylpyrene
CID 167335387
1-(2,4-dideuterio-5-naphthalen-2-yl-6-phenyl-3-pyren-1-ylphenyl)pyrene
CID 166019763

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene?
The IUPAC name of 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene (CID 142727128) is 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene.
What is the SMILES notation for 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene?
The canonical SMILES for 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene is c1ccc(-c2c3ccccc3c(-c3cc4ccc5ccc(-c6ccc7ccccc7c6)c6ccc(c3)c4c56)c3ccccc23)cc1.
What is the InChIKey of 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene?
The InChIKey is IGTCVPJXQLTYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-2-11-30(12-3-1)44-38-14-6-8-16-40(38)45(41-17-9-7-15-39(41)44)36-27-34-21-19-31-22-24-37(42-25-23-35(28-36)43(34)46(31)42)33-20-18-29-10-4-5-13-32(29)26-33/h1-28H.
What are the key properties of 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene?
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene has a molecular weight of 580.73 g/mol, XLogP of 13.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene is sourced from PubChem (CID 142727128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).