2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene

C54H34 — CID 123307782

IUPAC2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2cccc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc56)cc4c3)c2)cc1
InChIInChI=1S/C54H34/c1-2-13-35(14-3-1)37-15-12-16-38(31-37)39-27-25-36-26-28-40(33-42(36)32-39)53-48-21-8-10-23-50(48)54(51-24-11-9-22-49(51)53)41-29-30-47-45-19-5-4-17-43(45)44-18-6-7-20-46(44)52(47)34-41/h1-34H
InChIKeyIVEYLANMKCDOHX-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene

2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene (PubChem CID 123307782) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
PubChem CID123307782
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2cccc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc56)cc4c3)c2)cc1
InChIInChI=1S/C54H34/c1-2-13-35(14-3-1)37-15-12-16-38(31-37)39-27-25-36-26-28-40(33-42(36)32-39)53-48-21-8-10-23-50(48)54(51-24-11-9-22-49(51)53)41-29-30-47-45-19-5-4-17-43(45)44-18-6-7-20-46(44)52(47)34-41/h1-34H
InChIKeyIVEYLANMKCDOHX-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
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-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
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
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene (CID 123307782) is 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene is c1ccc(-c2cccc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc56)cc4c3)c2)cc1.
What is the InChIKey of 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The InChIKey is IVEYLANMKCDOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-13-35(14-3-1)37-15-12-16-38(31-37)39-27-25-36-26-28-40(33-42(36)32-39)53-48-21-8-10-23-50(48)54(51-24-11-9-22-49(51)53)41-29-30-47-45-19-5-4-17-43(45)44-18-6-7-20-46(44)52(47)34-41/h1-34H.
What are the key properties of 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene is sourced from PubChem (CID 123307782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).