5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene

C68H44 — CID 123794949

IUPAC5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
SMILESc1ccc(-c2ccc(-c3c4cc(-c5ccccc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)cc2)cc1
InChIInChI=1S/C68H44/c1-5-17-45(18-6-1)49-29-34-52(35-30-49)65-59-40-39-55(47-21-9-3-10-22-47)42-61(59)66(53-36-31-50(32-37-53)46-19-7-2-8-20-46)64-44-62-60(43-63(64)65)57-27-15-16-28-58(57)68(67(62)51-24-11-4-12-25-51)56-38-33-48-23-13-14-26-54(48)41-56/h1-44H
InChIKeyUGBXZJCPVZQZAU-UHFFFAOYSA-N
MW861.10 g/mol
LogP19.12
Rot. Bonds7

About 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene

5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene (PubChem CID 123794949) has the molecular formula C68H44 and a molecular weight of 861.10 g/mol. Its IUPAC name is 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene.

Molecular Properties

Compound Name5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
PubChem CID123794949
Molecular FormulaC68H44
Molecular Weight861.10 g/mol
Exact Mass860.34
IUPAC Name5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
SMILESc1ccc(-c2ccc(-c3c4cc(-c5ccccc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)cc2)cc1
InChIInChI=1S/C68H44/c1-5-17-45(18-6-1)49-29-34-52(35-30-49)65-59-40-39-55(47-21-9-3-10-22-47)42-61(59)66(53-36-31-50(32-37-53)46-19-7-2-8-20-46)64-44-62-60(43-63(64)65)57-27-15-16-28-58(57)68(67(62)51-24-11-4-12-25-51)56-38-33-48-23-13-14-26-54(48)41-56/h1-44H
InChIKeyUGBXZJCPVZQZAU-UHFFFAOYSA-N
XLogP19.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.10
LogP ≤ 519.12
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

2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 158939837
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene?
The IUPAC name of 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene (CID 123794949) is 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene.
What is the SMILES notation for 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene?
The canonical SMILES for 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene is c1ccc(-c2ccc(-c3c4cc(-c5ccccc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)cc2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene?
The InChIKey is UGBXZJCPVZQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44/c1-5-17-45(18-6-1)49-29-34-52(35-30-49)65-59-40-39-55(47-21-9-3-10-22-47)42-61(59)66(53-36-31-50(32-37-53)46-19-7-2-8-20-46)64-44-62-60(43-63(64)65)57-27-15-16-28-58(57)68(67(62)51-24-11-4-12-25-51)56-38-33-48-23-13-14-26-54(48)41-56/h1-44H.
What are the key properties of 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene?
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene has a molecular weight of 861.10 g/mol, XLogP of 19.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene is sourced from PubChem (CID 123794949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).