1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene

C62H38 — CID 171447302

IUPAC1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene
SMILESc1ccc(-c2cc3c4ccccc4c4ccccc4c3c(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c5ccccc5c5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C62H38/c1-3-20-39(21-4-1)55-38-56-46-29-10-8-25-42(46)45-28-12-14-31-49(45)61(56)57(40-22-5-2-6-23-40)62(55)60-52-34-17-15-32-50(52)59(51-33-16-18-35-53(51)60)54-37-19-36-48-44-26-9-7-24-41(44)43-27-11-13-30-47(43)58(48)54/h1-38H
InChIKeyNTRIMHMNVFBBNZ-UHFFFAOYSA-N
MW782.99 g/mol
LogP17.58
Rot. Bonds4

About 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene

1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene (PubChem CID 171447302) has the molecular formula C62H38 and a molecular weight of 782.99 g/mol. Its IUPAC name is 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene.

Molecular Properties

Compound Name1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene
PubChem CID171447302
Molecular FormulaC62H38
Molecular Weight782.99 g/mol
Exact Mass782.30
IUPAC Name1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene
SMILESc1ccc(-c2cc3c4ccccc4c4ccccc4c3c(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c5ccccc5c5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C62H38/c1-3-20-39(21-4-1)55-38-56-46-29-10-8-25-42(46)45-28-12-14-31-49(45)61(56)57(40-22-5-2-6-23-40)62(55)60-52-34-17-15-32-50(52)59(51-33-16-18-35-53(51)60)54-37-19-36-48-44-26-9-7-24-41(44)43-27-11-13-30-47(43)58(48)54/h1-38H
InChIKeyNTRIMHMNVFBBNZ-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

1,2-dinaphthalen-1-yl-3-phenyltriphenylene
CID 166133469
21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 156656861
21-[10-(3-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59582971
7,9,21,28-tetraphenylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123534242
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 171447225
1,2,4-triphenyltriphenylene
CID 58820754
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
CID 144663155
9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene?
The IUPAC name of 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene (CID 171447302) is 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene.
What is the SMILES notation for 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene?
The canonical SMILES for 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene is c1ccc(-c2cc3c4ccccc4c4ccccc4c3c(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c5ccccc5c5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene?
The InChIKey is NTRIMHMNVFBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38/c1-3-20-39(21-4-1)55-38-56-46-29-10-8-25-42(46)45-28-12-14-31-49(45)61(56)57(40-22-5-2-6-23-40)62(55)60-52-34-17-15-32-50(52)59(51-33-16-18-35-53(51)60)54-37-19-36-48-44-26-9-7-24-41(44)43-27-11-13-30-47(43)58(48)54/h1-38H.
What are the key properties of 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene?
1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-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 1,3-diphenyl-2-(10-triphenylen-1-ylanthracen-9-yl)triphenylene is sourced from PubChem (CID 171447302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).