5-naphthalen-1-yl-12-phenyltetracene

C34H22 — CID 59307463

IUPAC5-naphthalen-1-yl-12-phenyltetracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C34H22/c1-2-12-24(13-3-1)33-29-18-8-9-19-30(29)34(28-20-10-16-23-11-6-7-17-27(23)28)32-22-26-15-5-4-14-25(26)21-31(32)33/h1-22H
InChIKeyNKWFDHTYUWWYJL-UHFFFAOYSA-N
MW430.55 g/mol
LogP9.63
Rot. Bonds2

About 5-naphthalen-1-yl-12-phenyltetracene

5-naphthalen-1-yl-12-phenyltetracene (PubChem CID 59307463) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-naphthalen-1-yl-12-phenyltetracene.

Molecular Properties

Compound Name5-naphthalen-1-yl-12-phenyltetracene
PubChem CID59307463
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name5-naphthalen-1-yl-12-phenyltetracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C34H22/c1-2-12-24(13-3-1)33-29-18-8-9-19-30(29)34(28-20-10-16-23-11-6-7-17-27(23)28)32-22-26-15-5-4-14-25(26)21-31(32)33/h1-22H
InChIKeyNKWFDHTYUWWYJL-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
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-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
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

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-12-phenyltetracene?
The IUPAC name of 5-naphthalen-1-yl-12-phenyltetracene (CID 59307463) is 5-naphthalen-1-yl-12-phenyltetracene.
What is the SMILES notation for 5-naphthalen-1-yl-12-phenyltetracene?
The canonical SMILES for 5-naphthalen-1-yl-12-phenyltetracene is c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 5-naphthalen-1-yl-12-phenyltetracene?
The InChIKey is NKWFDHTYUWWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-2-12-24(13-3-1)33-29-18-8-9-19-30(29)34(28-20-10-16-23-11-6-7-17-27(23)28)32-22-26-15-5-4-14-25(26)21-31(32)33/h1-22H.
What are the key properties of 5-naphthalen-1-yl-12-phenyltetracene?
5-naphthalen-1-yl-12-phenyltetracene has a molecular weight of 430.55 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-12-phenyltetracene is sourced from PubChem (CID 59307463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).