1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline

C40H36N2 — CID 150560857

IUPAC1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline
SMILESCC1=CC(c2ccccc2)(c2ccccc2)c2ccc3c(c2N1C)N(C)C(C)=CC3(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36N2/c1-29-27-39(31-17-9-5-10-18-31,32-19-11-6-12-20-32)35-25-26-36-38(37(35)41(29)3)42(4)30(2)28-40(36,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3
InChIKeyIJVAPHWHIZFRSV-UHFFFAOYSA-N
MW544.74 g/mol
LogP9.06
Rot. Bonds4

About 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline

1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline (PubChem CID 150560857) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline
PubChem CID150560857
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline
SMILESCC1=CC(c2ccccc2)(c2ccccc2)c2ccc3c(c2N1C)N(C)C(C)=CC3(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36N2/c1-29-27-39(31-17-9-5-10-18-31,32-19-11-6-12-20-32)35-25-26-36-38(37(35)41(29)3)42(4)30(2)28-40(36,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3
InChIKeyIJVAPHWHIZFRSV-UHFFFAOYSA-N
XLogP9.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5369807
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5-methyl-6-phenylphenanthridin-6-olate
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1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
1,2-dimethyl-3-phenylazirine
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Frequently Asked Questions

What is the IUPAC name of 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline?
The IUPAC name of 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline (CID 150560857) is 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline.
What is the SMILES notation for 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline?
The canonical SMILES for 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline is CC1=CC(c2ccccc2)(c2ccccc2)c2ccc3c(c2N1C)N(C)C(C)=CC3(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline?
The InChIKey is IJVAPHWHIZFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2/c1-29-27-39(31-17-9-5-10-18-31,32-19-11-6-12-20-32)35-25-26-36-38(37(35)41(29)3)42(4)30(2)28-40(36,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3.
What are the key properties of 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline?
1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline has a molecular weight of 544.74 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9,10-tetramethyl-4,4,7,7-tetraphenyl-1,10-phenanthroline is sourced from PubChem (CID 150560857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).