6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene

C50H46 — CID 139940303

IUPAC6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene
SMILESCC(C)(C)c1c2c(c(C(C)(C)C)c3ccccc13)Cc1c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c1-c1ccccc1)C2
InChIInChI=1S/C50H46/c1-49(2,3)47-37-29-19-20-30-38(37)48(50(4,5)6)42-32-40-39(31-41(42)47)43(33-21-11-7-12-22-33)45(35-25-15-9-16-26-35)46(36-27-17-10-18-28-36)44(40)34-23-13-8-14-24-34/h7-30H,31-32H2,1-6H3
InChIKeyVDQVZHQVHNDOBR-UHFFFAOYSA-N
MW646.92 g/mol
LogP13.60
Rot. Bonds4

About 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene

6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene (PubChem CID 139940303) has the molecular formula C50H46 and a molecular weight of 646.92 g/mol. Its IUPAC name is 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene.

Molecular Properties

Compound Name6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene
PubChem CID139940303
Molecular FormulaC50H46
Molecular Weight646.92 g/mol
Exact Mass646.36
IUPAC Name6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene
SMILESCC(C)(C)c1c2c(c(C(C)(C)C)c3ccccc13)Cc1c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c1-c1ccccc1)C2
InChIInChI=1S/C50H46/c1-49(2,3)47-37-29-19-20-30-38(37)48(50(4,5)6)42-32-40-39(31-41(42)47)43(33-21-11-7-12-22-33)45(35-25-15-9-16-26-35)46(36-27-17-10-18-28-36)44(40)34-23-13-8-14-24-34/h7-30H,31-32H2,1-6H3
InChIKeyVDQVZHQVHNDOBR-UHFFFAOYSA-N
XLogP13.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.92
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-methyl-2,4-diphenylnaphthalene
CID 10569884
8,9-diiodo-1,2,3,4,6,11-hexakis-phenyl-5,12-dihydrotetracene
CID 134887675
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
9-tert-butyl-10-methylanthracene
CID 58161441
1,2,3,4,5-pentatert-butyl-6-[2-(2-tert-butylphenyl)-3,4,5,6-tetraphenylphenyl]benzene
CID 90735400
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
1,2,4,5-tetrakis(2,6-ditert-butylphenyl)-3-phenylbenzene
CID 141273457
9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
CID 10634606
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519

Frequently Asked Questions

What is the IUPAC name of 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene?
The IUPAC name of 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene (CID 139940303) is 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene.
What is the SMILES notation for 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene?
The canonical SMILES for 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene is CC(C)(C)c1c2c(c(C(C)(C)C)c3ccccc13)Cc1c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c1-c1ccccc1)C2.
What is the InChIKey of 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene?
The InChIKey is VDQVZHQVHNDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46/c1-49(2,3)47-37-29-19-20-30-38(37)48(50(4,5)6)42-32-40-39(31-41(42)47)43(33-21-11-7-12-22-33)45(35-25-15-9-16-26-35)46(36-27-17-10-18-28-36)44(40)34-23-13-8-14-24-34/h7-30H,31-32H2,1-6H3.
What are the key properties of 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene?
6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene has a molecular weight of 646.92 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene is sourced from PubChem (CID 139940303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).