12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene

C52H48 — CID 162426493

IUPAC12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene
SMILESCc1ccc2c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccccc4)c3c(-c3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C52H48/c1-32(2)36-20-22-39(23-21-36)48-43-29-33(3)19-28-42(43)46(37-15-11-9-12-16-37)50-49(40-24-26-41(27-25-40)52(6,7)8)45-31-35(5)34(4)30-44(45)47(51(48)50)38-17-13-10-14-18-38/h9-32H,1-8H3
InChIKeyHFYGORGJAXLDKN-UHFFFAOYSA-N
MW672.96 g/mol
LogP15.16
Rot. Bonds5

About 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene

12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene (PubChem CID 162426493) has the molecular formula C52H48 and a molecular weight of 672.96 g/mol. Its IUPAC name is 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene.

Molecular Properties

Compound Name12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene
PubChem CID162426493
Molecular FormulaC52H48
Molecular Weight672.96 g/mol
Exact Mass672.38
IUPAC Name12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene
SMILESCc1ccc2c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccccc4)c3c(-c3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C52H48/c1-32(2)36-20-22-39(23-21-36)48-43-29-33(3)19-28-42(43)46(37-15-11-9-12-16-37)50-49(40-24-26-41(27-25-40)52(6,7)8)45-31-35(5)34(4)30-44(45)47(51(48)50)38-17-13-10-14-18-38/h9-32H,1-8H3
InChIKeyHFYGORGJAXLDKN-UHFFFAOYSA-N
XLogP15.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.96
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene
CID 163430298
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426485
5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 163855080
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,3,8-trimethyltetracene
CID 162426404
5-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
CID 162426516
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
CID 162426419
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene
CID 91269159
2,3,8-trimethyl-12-(4-methylphenyl)-5,11-diphenyl-6-(2,4,6-trimethylphenyl)tetracene
CID 162426532
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;2,6-dimethyl-9-(4-methylphenyl)anthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)anthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)-10-phenylanthracene
CID 158093460
3,10,17,24-tetrakis(4-tert-butylphenyl)-6-methyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-5,7-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4,6,8,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene;10,17,24-tris(4-tert-butylphenyl)-5,6-dimethyl-3-(4-propan-2-ylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 159269503

Frequently Asked Questions

What is the IUPAC name of 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene?
The IUPAC name of 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene (CID 162426493) is 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene.
What is the SMILES notation for 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene?
The canonical SMILES for 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene is Cc1ccc2c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccccc4)c3c(-c3ccc(C(C)C)cc3)c2c1.
What is the InChIKey of 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene?
The InChIKey is HFYGORGJAXLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48/c1-32(2)36-20-22-39(23-21-36)48-43-29-33(3)19-28-42(43)46(37-15-11-9-12-16-37)50-49(40-24-26-41(27-25-40)52(6,7)8)45-31-35(5)34(4)30-44(45)47(51(48)50)38-17-13-10-14-18-38/h9-32H,1-8H3.
What are the key properties of 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene?
12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene has a molecular weight of 672.96 g/mol, XLogP of 15.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene is sourced from PubChem (CID 162426493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).