1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene

C50H60 — CID 59816825

IUPAC1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
SMILESCc1c(C)c(C)c(-c2c3c(C)c(C)c(C)c(C)c3c(-c3c(C)c(C)c(C)c(C)c3C)c3c(C)c4c(C)c(C)c(C)c(C)c4c(C)c23)c(C)c1C
InChIInChI=1S/C50H60/c1-21-23(3)31(11)41(32(12)24(21)4)49-45-37(17)29(9)30(10)38(18)46(45)50(42-33(13)25(5)22(2)26(6)34(42)14)48-40(20)44-36(16)28(8)27(7)35(15)43(44)39(19)47(48)49/h1-20H3
InChIKeyDVHRSKHJXVSBSZ-UHFFFAOYSA-N
MW661.03 g/mol
LogP14.65
Rot. Bonds2

About 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene

1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene (PubChem CID 59816825) has the molecular formula C50H60 and a molecular weight of 661.03 g/mol. Its IUPAC name is 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene.

Molecular Properties

Compound Name1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
PubChem CID59816825
Molecular FormulaC50H60
Molecular Weight661.03 g/mol
Exact Mass660.47
IUPAC Name1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
SMILESCc1c(C)c(C)c(-c2c3c(C)c(C)c(C)c(C)c3c(-c3c(C)c(C)c(C)c(C)c3C)c3c(C)c4c(C)c(C)c(C)c(C)c4c(C)c23)c(C)c1C
InChIInChI=1S/C50H60/c1-21-23(3)31(11)41(32(12)24(21)4)49-45-37(17)29(9)30(10)38(18)46(45)50(42-33(13)25(5)22(2)26(6)34(42)14)48-40(20)44-36(16)28(8)27(7)35(15)43(44)39(19)47(48)49/h1-20H3
InChIKeyDVHRSKHJXVSBSZ-UHFFFAOYSA-N
XLogP14.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.03
LogP ≤ 514.65
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

2-[10-(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]-1,3,4,6,7,8,9-heptamethyldibenzofuran;1,2,3,4,6,7,9-heptamethyl-8-[1,2,3,4,5,6,7,8-octamethyl-10-[2,3,4,5-tetramethyl-6-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran;2-[10-[1,3,4,5,7,8-hexamethyl-6-(2,3,4,5,6-pentamethylphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]-1,3,4,6,7,8,9-heptamethyldibenzofuran
CID 167658763
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
2-[10-[4-(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)-2,3,5,6,7,8-hexamethylnaphthalen-1-yl]-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]-1,3,4,6,7,8,9-heptamethyldibenzofuran;1,2,3,4,6,7,9-heptamethyl-8-[1,2,3,4,5,6,7,8-octamethyl-10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]dibenzofuran;2-[10-[2,4,5,6,7,8-hexamethyl-3-(2,3,4,5,6-pentamethylphenyl)naphthalen-1-yl]-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]-1,3,4,6,7,8,9-heptamethyldibenzofuran
CID 167649589
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
2-methoxy-1-(2-methoxy-3,4,5,6,7,8-hexamethylnaphthalen-1-yl)-3,4,5,6,7,8-hexamethylnaphthalene;1-methoxy-2-(2-methoxy-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 91034834
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzofuran
CID 59348416
1,2,3,4,6,8,9-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)dibenzothiophene
CID 59348400
1,3,4,5,6,7,8,9,10-nonamethylanthracen-2-ol
CID 129267856
1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
CID 158125527
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene?
The IUPAC name of 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene (CID 59816825) is 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene.
What is the SMILES notation for 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene?
The canonical SMILES for 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene is Cc1c(C)c(C)c(-c2c3c(C)c(C)c(C)c(C)c3c(-c3c(C)c(C)c(C)c(C)c3C)c3c(C)c4c(C)c(C)c(C)c(C)c4c(C)c23)c(C)c1C.
What is the InChIKey of 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene?
The InChIKey is DVHRSKHJXVSBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60/c1-21-23(3)31(11)41(32(12)24(21)4)49-45-37(17)29(9)30(10)38(18)46(45)50(42-33(13)25(5)22(2)26(6)34(42)14)48-40(20)44-36(16)28(8)27(7)35(15)43(44)39(19)47(48)49/h1-20H3.
What are the key properties of 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene?
1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene has a molecular weight of 661.03 g/mol, XLogP of 14.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene is sourced from PubChem (CID 59816825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).