3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline

C42H32N2 — CID 175635001

IUPAC3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
SMILESCc1cnc2c(ccc3c(C)c(C)c(-c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4)nc32)c1C
InChIInChI=1S/C42H32N2/c1-25-24-43-41-36(26(25)2)20-21-37-27(3)28(4)40(44-42(37)41)31-14-12-29(13-15-31)32-16-17-34-23-35(19-18-33(34)22-32)39-11-7-9-30-8-5-6-10-38(30)39/h5-24H,1-4H3
InChIKeyFGGQODUPXZFXPT-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.32
Rot. Bonds3

About 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline

3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 175635001) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
PubChem CID175635001
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
SMILESCc1cnc2c(ccc3c(C)c(C)c(-c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4)nc32)c1C
InChIInChI=1S/C42H32N2/c1-25-24-43-41-36(26(25)2)20-21-37-27(3)28(4)40(44-42(37)41)31-14-12-29(13-15-31)32-16-17-34-23-35(19-18-33(34)22-32)39-11-7-9-30-8-5-6-10-38(30)39/h5-24H,1-4H3
InChIKeyFGGQODUPXZFXPT-UHFFFAOYSA-N
XLogP11.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.32
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-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline
CID 175634995
2-[5-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-3,4,7,8-tetramethyl-1,10-phenanthroline
CID 175635268
5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
CID 175634950
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
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-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-naphthalen-1-ylanthracene
CID 2748705
5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 175634953
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline (CID 175635001) is 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline is Cc1cnc2c(ccc3c(C)c(C)c(-c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4)nc32)c1C.
What is the InChIKey of 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is FGGQODUPXZFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-25-24-43-41-36(26(25)2)20-21-37-27(3)28(4)40(44-42(37)41)31-14-12-29(13-15-31)32-16-17-34-23-35(19-18-33(34)22-32)39-11-7-9-30-8-5-6-10-38(30)39/h5-24H,1-4H3.
What are the key properties of 3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline?
3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 564.73 g/mol, XLogP of 11.32, 3 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-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 175635001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).