2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline

C142H104N6 — CID 158665770

IUPAC2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline
SMILESCc1ccc2ccccc2c1Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(Cc4c(C)ccc5ccccc45)nc3c2n1.Cc1cccc2cccc(Cc3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(Cc6cccc7cccc(C)c67)nc5c4n3)c12.c1ccc(-c2cc(Cc3cccc4ccccc34)nc3c2ccc2c(-c4ccccc4)cc(Cc4cccc5ccccc45)nc23)cc1
InChIInChI=1S/2C48H36N2.C46H32N2/c1-31-13-9-19-35-21-11-23-37(45(31)35)27-39-29-43(33-15-5-3-6-16-33)41-25-26-42-44(34-17-7-4-8-18-34)30-40(50-48(42)47(41)49-39)28-38-24-12-22-36-20-10-14-32(2)46(36)38;1-31-21-23-35-17-9-11-19-39(35)43(31)27-37-29-45(33-13-5-3-6-14-33)41-25-26-42-46(34-15-7-4-8-16-34)30-38(50-48(42)47(41)49-37)28-44-32(2)22-24-36-18-10-12-20-40(36)44;1-3-13-33(14-4-1)43-29-37(27-35-21-11-19-31-17-7-9-23-39(31)35)47-45-41(43)25-26-42-44(34-15-5-2-6-16-34)30-38(48-46(42)45)28-36-22-12-20-32-18-8-10-24-40(32)36/h2*3-26,29-30H,27-28H2,1-2H3;1-26,29-30H,27-28H2
InChIKeyIDIHNHWPCOWWRL-UHFFFAOYSA-N
MW1894.44 g/mol
LogP36.05
Rot. Bonds18

About 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline

2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 158665770) has the molecular formula C142H104N6 and a molecular weight of 1894.44 g/mol. Its IUPAC name is 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID158665770
Molecular FormulaC142H104N6
Molecular Weight1894.44 g/mol
Exact Mass1892.83
IUPAC Name2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline
SMILESCc1ccc2ccccc2c1Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(Cc4c(C)ccc5ccccc45)nc3c2n1.Cc1cccc2cccc(Cc3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(Cc6cccc7cccc(C)c67)nc5c4n3)c12.c1ccc(-c2cc(Cc3cccc4ccccc34)nc3c2ccc2c(-c4ccccc4)cc(Cc4cccc5ccccc45)nc23)cc1
InChIInChI=1S/2C48H36N2.C46H32N2/c1-31-13-9-19-35-21-11-23-37(45(31)35)27-39-29-43(33-15-5-3-6-16-33)41-25-26-42-44(34-17-7-4-8-18-34)30-40(50-48(42)47(41)49-39)28-38-24-12-22-36-20-10-14-32(2)46(36)38;1-31-21-23-35-17-9-11-19-39(35)43(31)27-37-29-45(33-13-5-3-6-14-33)41-25-26-42-46(34-15-7-4-8-16-34)30-38(50-48(42)47(41)49-37)28-44-32(2)22-24-36-18-10-12-20-40(36)44;1-3-13-33(14-4-1)43-29-37(27-35-21-11-19-31-17-7-9-23-39(31)35)47-45-41(43)25-26-42-44(34-15-5-2-6-16-34)30-38(48-46(42)45)28-36-22-12-20-32-18-8-10-24-40(32)36/h2*3-26,29-30H,27-28H2,1-2H3;1-26,29-30H,27-28H2
InChIKeyIDIHNHWPCOWWRL-UHFFFAOYSA-N
XLogP36.05
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001894.44
LogP ≤ 536.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline with MolForge

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Related Compounds

2,9-bis[2-(2,8-dimethylnaphthalen-1-yl)propan-2-yl]-4,7-diphenyl-1,10-phenanthroline
CID 22971987
2,9-bis(1,8-diethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-methylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 159610904
2,9-bis(1,8-dimethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-ethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(1,8,10-trimethylanthracen-9-yl)-1,10-phenanthroline
CID 160773571
[9-(aminomethyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]methanamine
CID 19783563
2,9-bis[1-(2,8-dimethylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(2-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[1-(8-methylnaphthalen-1-yl)ethyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(1-naphthalen-1-ylethyl)-4,7-diphenyl-1,10-phenanthroline
CID 159395187
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
1-methyl-8-[(2-methylphenyl)methyl]naphthalene
CID 164971033
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
2-ethyl-4,7-diphenyl-9-propyl-1,10-phenanthroline
CID 142200622
1-methylbenzo[a]anthracene;5-methylchrysene;4-methylphenanthrene;1-methyl-2-phenylbenzene
CID 162099603
methanamine;3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;toluene
CID 143980770
2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 171419180

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline (CID 158665770) is 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline is Cc1ccc2ccccc2c1Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(Cc4c(C)ccc5ccccc45)nc3c2n1.Cc1cccc2cccc(Cc3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(Cc6cccc7cccc(C)c67)nc5c4n3)c12.c1ccc(-c2cc(Cc3cccc4ccccc34)nc3c2ccc2c(-c4ccccc4)cc(Cc4cccc5ccccc45)nc23)cc1.
What is the InChIKey of 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is IDIHNHWPCOWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H36N2.C46H32N2/c1-31-13-9-19-35-21-11-23-37(45(31)35)27-39-29-43(33-15-5-3-6-16-33)41-25-26-42-44(34-17-7-4-8-18-34)30-40(50-48(42)47(41)49-39)28-38-24-12-22-36-20-10-14-32(2)46(36)38;1-31-21-23-35-17-9-11-19-39(35)43(31)27-37-29-45(33-13-5-3-6-14-33)41-25-26-42-46(34-15-7-4-8-16-34)30-38(50-48(42)47(41)49-37)28-44-32(2)22-24-36-18-10-12-20-40(36)44;1-3-13-33(14-4-1)43-29-37(27-35-21-11-19-31-17-7-9-23-39(31)35)47-45-41(43)25-26-42-44(34-15-5-2-6-16-34)30-38(48-46(42)45)28-36-22-12-20-32-18-8-10-24-40(32)36/h2*3-26,29-30H,27-28H2,1-2H3;1-26,29-30H,27-28H2.
What are the key properties of 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline?
2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 1894.44 g/mol, XLogP of 36.05, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[(2-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[(8-methylnaphthalen-1-yl)methyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(naphthalen-1-ylmethyl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 158665770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).