4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene

C64H40 — CID 142721790

IUPAC4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc(-c6cccc7ccccc67)c54)c3)c3ccccc23)cc1
InChIInChI=1S/C64H40/c1-3-19-42(20-4-1)60-49-25-9-11-27-51(49)62(52-28-12-10-26-50(52)60)45-35-36-47-44(40-45)34-37-58-59(39-38-57(63(47)58)48-33-17-23-41-18-7-8-24-46(41)48)64-55-31-15-13-29-53(55)61(43-21-5-2-6-22-43)54-30-14-16-32-56(54)64/h1-40H
InChIKeyUHDJPWXCHWDVJN-UHFFFAOYSA-N
MW809.02 g/mol
LogP18.09
Rot. Bonds5

About 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene

4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene (PubChem CID 142721790) has the molecular formula C64H40 and a molecular weight of 809.02 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene.

Molecular Properties

Compound Name4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
PubChem CID142721790
Molecular FormulaC64H40
Molecular Weight809.02 g/mol
Exact Mass808.31
IUPAC Name4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc(-c6cccc7ccccc67)c54)c3)c3ccccc23)cc1
InChIInChI=1S/C64H40/c1-3-19-42(20-4-1)60-49-25-9-11-27-51(49)62(52-28-12-10-26-50(52)60)45-35-36-47-44(40-45)34-37-58-59(39-38-57(63(47)58)48-33-17-23-41-18-7-8-24-46(41)48)64-55-31-15-13-29-53(55)61(43-21-5-2-6-22-43)54-30-14-16-32-56(54)64/h1-40H
InChIKeyUHDJPWXCHWDVJN-UHFFFAOYSA-N
XLogP18.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.02
LogP ≤ 518.09
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-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
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
9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160897071
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene?
The IUPAC name of 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene (CID 142721790) is 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene.
What is the SMILES notation for 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene?
The canonical SMILES for 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene is c1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc(-c6cccc7ccccc67)c54)c3)c3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene?
The InChIKey is UHDJPWXCHWDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40/c1-3-19-42(20-4-1)60-49-25-9-11-27-51(49)62(52-28-12-10-26-50(52)60)45-35-36-47-44(40-45)34-37-58-59(39-38-57(63(47)58)48-33-17-23-41-18-7-8-24-46(41)48)64-55-31-15-13-29-53(55)61(43-21-5-2-6-22-43)54-30-14-16-32-56(54)64/h1-40H.
What are the key properties of 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene?
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene has a molecular weight of 809.02 g/mol, XLogP of 18.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene is sourced from PubChem (CID 142721790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).