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

C54H34 — CID 123785417

IUPAC2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C54H34/c1-2-14-36(15-3-1)41-16-4-5-17-42(41)37-28-26-35-27-29-38(33-40(35)32-37)53-48-22-10-12-24-50(48)54(51-25-13-11-23-49(51)53)39-30-31-47-45-20-7-6-18-43(45)44-19-8-9-21-46(44)52(47)34-39/h1-34H
InChIKeySWNLJNABIBKBNS-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

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

2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene (PubChem CID 123785417) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
PubChem CID123785417
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C54H34/c1-2-14-36(15-3-1)41-16-4-5-17-42(41)37-28-26-35-27-29-38(33-40(35)32-37)53-48-22-10-12-24-50(48)54(51-25-13-11-23-49(51)53)39-30-31-47-45-20-7-6-18-43(45)44-19-8-9-21-46(44)52(47)34-39/h1-34H
InChIKeySWNLJNABIBKBNS-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-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
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-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256

Frequently Asked Questions

What is the IUPAC name of 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene (CID 123785417) is 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene is c1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)cc3c2)cc1.
What is the InChIKey of 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The InChIKey is SWNLJNABIBKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-14-36(15-3-1)41-16-4-5-17-42(41)37-28-26-35-27-29-38(33-40(35)32-37)53-48-22-10-12-24-50(48)54(51-25-13-11-23-49(51)53)39-30-31-47-45-20-7-6-18-43(45)44-19-8-9-21-46(44)52(47)34-39/h1-34H.
What are the key properties of 2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
2-[10-[7-(2-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-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene is sourced from PubChem (CID 123785417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).