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

C62H38 — CID 153438362

IUPAC2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc56)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C62H38/c1-2-16-40(17-3-1)59-50-22-8-10-24-52(50)60(53-25-11-9-23-51(53)59)41-32-30-39-31-33-42(37-44(39)36-41)61-54-26-12-14-28-56(54)62(57-29-15-13-27-55(57)61)43-34-35-49-47-20-5-4-18-45(47)46-19-6-7-21-48(46)58(49)38-43/h1-38H
InChIKeyUVWQAARVCCAZBD-UHFFFAOYSA-N
MW782.99 g/mol
LogP17.58
Rot. Bonds4

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

2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene (PubChem CID 153438362) has the molecular formula C62H38 and a molecular weight of 782.99 g/mol. Its IUPAC name is 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene.

Molecular Properties

Compound Name2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
PubChem CID153438362
Molecular FormulaC62H38
Molecular Weight782.99 g/mol
Exact Mass782.30
IUPAC Name2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc56)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C62H38/c1-2-16-40(17-3-1)59-50-22-8-10-24-52(50)60(53-25-11-9-23-51(53)59)41-32-30-39-31-33-42(37-44(39)36-41)61-54-26-12-14-28-56(54)62(57-29-15-13-27-55(57)61)43-34-35-49-47-20-5-4-18-45(47)46-19-6-7-21-48(46)58(49)38-43/h1-38H
InChIKeyUVWQAARVCCAZBD-UHFFFAOYSA-N
XLogP17.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 517.58
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-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
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
2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123785417
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716

Frequently Asked Questions

What is the IUPAC name of 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The IUPAC name of 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene (CID 153438362) is 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene.
What is the SMILES notation for 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The canonical SMILES for 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene is c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c6ccccc56)cc4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
The InChIKey is UVWQAARVCCAZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38/c1-2-16-40(17-3-1)59-50-22-8-10-24-52(50)60(53-25-11-9-23-51(53)59)41-32-30-39-31-33-42(37-44(39)36-41)61-54-26-12-14-28-56(54)62(57-29-15-13-27-55(57)61)43-34-35-49-47-20-5-4-18-45(47)46-19-6-7-21-48(46)58(49)38-43/h1-38H.
What are the key properties of 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene?
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene has a molecular weight of 782.99 g/mol, XLogP of 17.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene is sourced from PubChem (CID 153438362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).