3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline

C36H28N2 — CID 175634995

IUPAC3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline
SMILESCc1cnc2c(ccc3c(C)c(C)c(-c4ccc5ccc(-c6cccc7ccccc67)cc5c4)nc32)c1C
InChIInChI=1S/C36H28N2/c1-21-20-37-35-30(22(21)2)16-17-31-23(3)24(4)34(38-36(31)35)28-15-13-25-12-14-27(18-29(25)19-28)33-11-7-9-26-8-5-6-10-32(26)33/h5-20H,1-4H3
InChIKeyILQHSBDEJOFNPG-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.66
Rot. Bonds2

About 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline

3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline (PubChem CID 175634995) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline
PubChem CID175634995
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline
SMILESCc1cnc2c(ccc3c(C)c(C)c(-c4ccc5ccc(-c6cccc7ccccc67)cc5c4)nc32)c1C
InChIInChI=1S/C36H28N2/c1-21-20-37-35-30(22(21)2)16-17-31-23(3)24(4)34(38-36(31)35)28-15-13-25-12-14-27(18-29(25)19-28)33-11-7-9-26-8-5-6-10-32(26)33/h5-20H,1-4H3
InChIKeyILQHSBDEJOFNPG-UHFFFAOYSA-N
XLogP9.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 175635001
2-[5-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-3,4,7,8-tetramethyl-1,10-phenanthroline
CID 175635268
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,7,8-tetramethyl-9-naphthalen-1-yl-1,10-phenanthroline
CID 175635549
5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
CID 175634950
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
2-naphthalen-1-ylanthracene
CID 2748705
5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 175634953
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline?
The IUPAC name of 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline (CID 175634995) is 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline?
The canonical SMILES for 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline is Cc1cnc2c(ccc3c(C)c(C)c(-c4ccc5ccc(-c6cccc7ccccc67)cc5c4)nc32)c1C.
What is the InChIKey of 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline?
The InChIKey is ILQHSBDEJOFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-21-20-37-35-30(22(21)2)16-17-31-23(3)24(4)34(38-36(31)35)28-15-13-25-12-14-27(18-29(25)19-28)33-11-7-9-26-8-5-6-10-32(26)33/h5-20H,1-4H3.
What are the key properties of 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline?
3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline has a molecular weight of 488.63 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 175634995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).