1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene

C72H46 — CID 59391228

IUPAC1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c45)cc1
InChIInChI=1S/C72H46/c1-5-21-47(22-6-1)51-29-13-15-33-57(51)67-45-69(61-39-37-53(49-25-9-3-10-26-49)55-31-17-19-35-59(55)61)65-44-42-64-68(58-34-16-14-30-52(58)48-23-7-2-8-24-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-54(50-27-11-4-12-28-50)56-32-18-20-36-60(56)62/h1-46H
InChIKeyALYFDGLIWUMWAJ-UHFFFAOYSA-N
MW911.16 g/mol
LogP20.23
Rot. Bonds8

About 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene

1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene (PubChem CID 59391228) has the molecular formula C72H46 and a molecular weight of 911.16 g/mol. Its IUPAC name is 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene.

Molecular Properties

Compound Name1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
PubChem CID59391228
Molecular FormulaC72H46
Molecular Weight911.16 g/mol
Exact Mass910.36
IUPAC Name1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c45)cc1
InChIInChI=1S/C72H46/c1-5-21-47(22-6-1)51-29-13-15-33-57(51)67-45-69(61-39-37-53(49-25-9-3-10-26-49)55-31-17-19-35-59(55)61)65-44-42-64-68(58-34-16-14-30-52(58)48-23-7-2-8-24-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-54(50-27-11-4-12-28-50)56-32-18-20-36-60(56)62/h1-46H
InChIKeyALYFDGLIWUMWAJ-UHFFFAOYSA-N
XLogP20.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.16
LogP ≤ 520.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 159827500
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene;3-(4-phenylphenyl)-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 158357725
3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(2-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(3-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(4-phenylphenyl)pyrene
CID 159896209
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
1-phenyl-3,6,8-tris(2-phenylphenyl)pyrene;trimethyl-[4-[3-phenyl-6,8-bis(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tris(3,5-diphenylphenyl)-8-phenylpyrene
CID 159096469
9,27-diphenyl-14,34-bis(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26,28,30(38),31,33,35-icosaene
CID 59342642
1,3,6-triphenyl-8-[3-(1,6,8-triphenylpyren-4-yl)-5-(3,6,8-triphenylpyren-1-yl)phenyl]pyrene
CID 59993828

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene?
The IUPAC name of 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene (CID 59391228) is 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene.
What is the SMILES notation for 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene?
The canonical SMILES for 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene is c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c45)cc1.
What is the InChIKey of 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene?
The InChIKey is ALYFDGLIWUMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46/c1-5-21-47(22-6-1)51-29-13-15-33-57(51)67-45-69(61-39-37-53(49-25-9-3-10-26-49)55-31-17-19-35-59(55)61)65-44-42-64-68(58-34-16-14-30-52(58)48-23-7-2-8-24-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-54(50-27-11-4-12-28-50)56-32-18-20-36-60(56)62/h1-46H.
What are the key properties of 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene?
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene has a molecular weight of 911.16 g/mol, XLogP of 20.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene is sourced from PubChem (CID 59391228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).