methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine

C237H228N16OS — CID 158582412

IUPACmethane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine
SMILESC.C.C.C.C.C.C.CN(c1ccc2ccccc2c1)c1ccc2ccccc2c1.CN(c1ccc2ccccc2c1)c1cccc2ccccc12.CN(c1cccc2ccccc12)c1cccc2ccccc12.CN(c1ccccc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1cccc2cc3ccccc3cc12.CN(c1ccccc1)c1cccc2ccccc12.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccn1.CN1c2ccccc2CCc2ccccc21.CN1c2ccccc2Cc2ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/4C21H17N.C19H16N2.2C17H15N.C15H15N.C14H13N.C13H11NO.C13H11NS.C13H11N.C13H13N.C12H12N2.7CH4/c1-22(20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21;1-22(20-12-10-16-6-2-4-8-18(16)14-20)21-13-11-17-7-3-5-9-19(17)15-21;1-22(19-14-13-16-7-2-3-9-18(16)15-19)21-12-6-10-17-8-4-5-11-20(17)21;1-22(19-11-3-2-4-12-19)21-13-7-10-18-14-16-8-5-6-9-17(16)15-20(18)21;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17;1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14(11-7-3-2-4-8-11)12-9-5-6-10-13-12;;;;;;;/h4*2-15H,1H3;2-14H,1H3;2*2-13H,1H3;2-9H,10-11H2,1H3;2-9H,10H2,1H3;2*2-9H,1H3;2-9H,1H3;2-11H,1H3;2-10H,1H3;7*1H4
InChIKeyHTKKNFGOPCNPOY-UHFFFAOYSA-N
MW3348.61 g/mol
LogP65.98
Rot. Bonds17

About methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine

methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine (PubChem CID 158582412) has the molecular formula C237H228N16OS and a molecular weight of 3348.61 g/mol. Its IUPAC name is methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Namemethane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine
PubChem CID158582412
Molecular FormulaC237H228N16OS
Molecular Weight3348.61 g/mol
Exact Mass3345.80
IUPAC Namemethane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine
SMILESC.C.C.C.C.C.C.CN(c1ccc2ccccc2c1)c1ccc2ccccc2c1.CN(c1ccc2ccccc2c1)c1cccc2ccccc12.CN(c1cccc2ccccc12)c1cccc2ccccc12.CN(c1ccccc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1cccc2cc3ccccc3cc12.CN(c1ccccc1)c1cccc2ccccc12.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccn1.CN1c2ccccc2CCc2ccccc21.CN1c2ccccc2Cc2ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/4C21H17N.C19H16N2.2C17H15N.C15H15N.C14H13N.C13H11NO.C13H11NS.C13H11N.C13H13N.C12H12N2.7CH4/c1-22(20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21;1-22(20-12-10-16-6-2-4-8-18(16)14-20)21-13-11-17-7-3-5-9-19(17)15-21;1-22(19-14-13-16-7-2-3-9-18(16)15-19)21-12-6-10-17-8-4-5-11-20(17)21;1-22(19-11-3-2-4-12-19)21-13-7-10-18-14-16-8-5-6-9-17(16)15-20(18)21;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17;1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14(11-7-3-2-4-8-11)12-9-5-6-10-13-12;;;;;;;/h4*2-15H,1H3;2-14H,1H3;2*2-13H,1H3;2-9H,10-11H2,1H3;2-9H,10H2,1H3;2*2-9H,1H3;2-9H,1H3;2-11H,1H3;2-10H,1H3;7*1H4
InChIKeyHTKKNFGOPCNPOY-UHFFFAOYSA-N
XLogP65.98
TPSA72.41 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003348.61
LogP ≤ 565.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine?
The IUPAC name of methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine (CID 158582412) is methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine is C.C.C.C.C.C.C.CN(c1ccc2ccccc2c1)c1ccc2ccccc2c1.CN(c1ccc2ccccc2c1)c1cccc2ccccc12.CN(c1cccc2ccccc12)c1cccc2ccccc12.CN(c1ccccc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1cccc2cc3ccccc3cc12.CN(c1ccccc1)c1cccc2ccccc12.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccn1.CN1c2ccccc2CCc2ccccc21.CN1c2ccccc2Cc2ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine?
The InChIKey is HTKKNFGOPCNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H17N.C19H16N2.2C17H15N.C15H15N.C14H13N.C13H11NO.C13H11NS.C13H11N.C13H13N.C12H12N2.7CH4/c1-22(20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21;1-22(20-12-10-16-6-2-4-8-18(16)14-20)21-13-11-17-7-3-5-9-19(17)15-21;1-22(19-14-13-16-7-2-3-9-18(16)15-19)21-12-6-10-17-8-4-5-11-20(17)21;1-22(19-11-3-2-4-12-19)21-13-7-10-18-14-16-8-5-6-9-17(16)15-20(18)21;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17;1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14(11-7-3-2-4-8-11)12-9-5-6-10-13-12;;;;;;;/h4*2-15H,1H3;2-14H,1H3;2*2-13H,1H3;2-9H,10-11H2,1H3;2-9H,10H2,1H3;2*2-9H,1H3;2-9H,1H3;2-11H,1H3;2-10H,1H3;7*1H4.
What are the key properties of methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine?
methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine has a molecular weight of 3348.61 g/mol, XLogP of 65.98, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methane;10-methyl-9H-acridine;9-methylcarbazole;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;N-methyl-N-naphthalen-1-ylnaphthalen-1-amine;N-methyl-N-naphthalen-1-ylnaphthalen-2-amine;N-methyl-N-naphthalen-2-ylnaphthalen-2-amine;10-methylphenothiazine;10-methylphenoxazine;N-methyl-N-phenylaniline;N-methyl-N-phenylanthracen-1-amine;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 158582412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).