2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene

C44H28 — CID 123541562

IUPAC2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
SMILESc1ccc2c(-c3ccc4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4c3)cccc2c1
InChIInChI=1S/C44H28/c1-2-10-37-32(8-1)9-7-15-38(37)35-23-21-31-20-22-33(26-36(31)27-35)29-16-18-30(19-17-29)34-24-25-43-41-13-4-3-11-39(41)40-12-5-6-14-42(40)44(43)28-34/h1-28H
InChIKeyNGUOEQHRMFFCAA-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene

2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene (PubChem CID 123541562) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene.

Molecular Properties

Compound Name2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
PubChem CID123541562
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
SMILESc1ccc2c(-c3ccc4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4c3)cccc2c1
InChIInChI=1S/C44H28/c1-2-10-37-32(8-1)9-7-15-38(37)35-23-21-31-20-22-33(26-36(31)27-35)29-16-18-30(19-17-29)34-24-25-43-41-13-4-3-11-39(41)40-12-5-6-14-42(40)44(43)28-34/h1-28H
InChIKeyNGUOEQHRMFFCAA-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
10-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629430
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene
CID 157295942
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
10-naphthalen-2-yl-21-(3-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629400
2-naphthalen-1-ylanthracene
CID 2748705
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene?
The IUPAC name of 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene (CID 123541562) is 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene.
What is the SMILES notation for 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene?
The canonical SMILES for 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene is c1ccc2c(-c3ccc4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4c3)cccc2c1.
What is the InChIKey of 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene?
The InChIKey is NGUOEQHRMFFCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-10-37-32(8-1)9-7-15-38(37)35-23-21-31-20-22-33(26-36(31)27-35)29-16-18-30(19-17-29)34-24-25-43-41-13-4-3-11-39(41)40-12-5-6-14-42(40)44(43)28-34/h1-28H.
What are the key properties of 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene?
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene is sourced from PubChem (CID 123541562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).