1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline

C144H122N10 — CID 159523781

IUPAC1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)CCN(c2ccc3ccc4c(N5CCC(C)(C)c6ccccc65)ccc5ccc2c3c54)c2ccccc21.CC1CCc2ccccc2N1c1ccc2ccc3c(N4c5ccccc5CCC4C)ccc4ccc1c2c43.CC1Cc2ccccc2N1c1ccc2ccc3c(N4c5ccccc5CC4C)ccc4ccc1c2c43.[C-]#[N+]c1ccc2c(c1)CCCN2c1ccc2ccc3c(N4CCCc5cc(C#N)ccc54)ccc4ccc1c2c43
InChIInChI=1S/C38H36N2.C36H26N4.C36H32N2.C34H28N2/c1-37(2)21-23-39(33-11-7-5-9-29(33)37)31-19-15-25-14-18-28-32(20-16-26-13-17-27(31)35(25)36(26)28)40-24-22-38(3,4)30-10-6-8-12-34(30)40;1-38-28-11-17-32-27(21-28)5-3-19-40(32)34-16-10-25-7-12-29-33(15-9-24-8-13-30(34)36(25)35(24)29)39-18-2-4-26-20-23(22-37)6-14-31(26)39;1-23-11-13-25-7-3-5-9-31(25)37(23)33-21-17-27-16-20-30-34(22-18-28-15-19-29(33)35(27)36(28)30)38-24(2)12-14-26-8-4-6-10-32(26)38;1-21-19-25-7-3-5-9-29(25)35(21)31-17-13-23-12-16-28-32(18-14-24-11-15-27(31)33(23)34(24)28)36-22(2)20-26-8-4-6-10-30(26)36/h5-20H,21-24H2,1-4H3;6-17,20-21H,2-5,18-19H2;3-10,15-24H,11-14H2,1-2H3;3-18,21-22H,19-20H2,1-2H3
InChIKeyMCDCRKGJHDEWFC-UHFFFAOYSA-N
MW1992.63 g/mol
LogP37.68
Rot. Bonds8

About 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline

1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline (PubChem CID 159523781) has the molecular formula C144H122N10 and a molecular weight of 1992.63 g/mol. Its IUPAC name is 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline
PubChem CID159523781
Molecular FormulaC144H122N10
Molecular Weight1992.63 g/mol
Exact Mass1990.99
IUPAC Name1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)CCN(c2ccc3ccc4c(N5CCC(C)(C)c6ccccc65)ccc5ccc2c3c54)c2ccccc21.CC1CCc2ccccc2N1c1ccc2ccc3c(N4c5ccccc5CCC4C)ccc4ccc1c2c43.CC1Cc2ccccc2N1c1ccc2ccc3c(N4c5ccccc5CC4C)ccc4ccc1c2c43.[C-]#[N+]c1ccc2c(c1)CCCN2c1ccc2ccc3c(N4CCCc5cc(C#N)ccc54)ccc4ccc1c2c43
InChIInChI=1S/C38H36N2.C36H26N4.C36H32N2.C34H28N2/c1-37(2)21-23-39(33-11-7-5-9-29(33)37)31-19-15-25-14-18-28-32(20-16-26-13-17-27(31)35(25)36(26)28)40-24-22-38(3,4)30-10-6-8-12-34(30)40;1-38-28-11-17-32-27(21-28)5-3-19-40(32)34-16-10-25-7-12-29-33(15-9-24-8-13-30(34)36(25)35(24)29)39-18-2-4-26-20-23(22-37)6-14-31(26)39;1-23-11-13-25-7-3-5-9-31(25)37(23)33-21-17-27-16-20-30-34(22-18-28-15-19-29(33)35(27)36(28)30)38-24(2)12-14-26-8-4-6-10-32(26)38;1-21-19-25-7-3-5-9-29(25)35(21)31-17-13-23-12-16-28-32(18-14-24-11-15-27(31)33(23)34(24)28)36-22(2)20-26-8-4-6-10-30(26)36/h5-20H,21-24H2,1-4H3;6-17,20-21H,2-5,18-19H2;3-10,15-24H,11-14H2,1-2H3;3-18,21-22H,19-20H2,1-2H3
InChIKeyMCDCRKGJHDEWFC-UHFFFAOYSA-N
XLogP37.68
TPSA54.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001992.63
LogP ≤ 537.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)-3,8-diphenylpyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine
CID 158476696
1-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;1-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline;2-fluoro-1-[6-(2-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;5-fluoro-1-[6-(5-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;1-[6-(2-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-2-carbonitrile;1-[6-(5-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-5-carbonitrile;1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2-(trifluoromethyl)-2,3-dihydroindole;1-[6-(5-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-5-(trifluoromethyl)-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline;trimethyl-[1-[6-(2-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-2-yl]silane;trimethyl-[1-[6-(5-trimethylsilyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindol-5-yl]silane
CID 161352137
6-(2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]anilino)benzonitrile;6-fluoro-1-[6-(6-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;6-(6-isocyano-2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;1-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-6-carbonitrile
CID 158281567
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
1-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline
CID 155364698
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118671922
4-(N-[6-(5-isocyano-3,3-dimethyl-2H-indol-1-yl)pyren-1-yl]-3,5-dimethylanilino)benzonitrile
CID 153465934
1-[2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112877328
1-[1-[[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1H-inden-1-yl]methyl]-2-methyl-1H-inden-4-yl]-2-methyl-3,4-dihydro-2H-quinoline
CID 122433936
4-[(1Z,3E)-4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]amino]-3-phenylbuta-1,3-dienyl]benzonitrile
CID 144777474
4-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]-4-fluoroanilino)benzonitrile;ethane
CID 144777433

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline (CID 159523781) is 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline is CC1(C)CCN(c2ccc3ccc4c(N5CCC(C)(C)c6ccccc65)ccc5ccc2c3c54)c2ccccc21.CC1CCc2ccccc2N1c1ccc2ccc3c(N4c5ccccc5CCC4C)ccc4ccc1c2c43.CC1Cc2ccccc2N1c1ccc2ccc3c(N4c5ccccc5CC4C)ccc4ccc1c2c43.[C-]#[N+]c1ccc2c(c1)CCCN2c1ccc2ccc3c(N4CCCc5cc(C#N)ccc54)ccc4ccc1c2c43.
What is the InChIKey of 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is MCDCRKGJHDEWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2.C36H26N4.C36H32N2.C34H28N2/c1-37(2)21-23-39(33-11-7-5-9-29(33)37)31-19-15-25-14-18-28-32(20-16-26-13-17-27(31)35(25)36(26)28)40-24-22-38(3,4)30-10-6-8-12-34(30)40;1-38-28-11-17-32-27(21-28)5-3-19-40(32)34-16-10-25-7-12-29-33(15-9-24-8-13-30(34)36(25)35(24)29)39-18-2-4-26-20-23(22-37)6-14-31(26)39;1-23-11-13-25-7-3-5-9-31(25)37(23)33-21-17-27-16-20-30-34(22-18-28-15-19-29(33)35(27)36(28)30)38-24(2)12-14-26-8-4-6-10-32(26)38;1-21-19-25-7-3-5-9-29(25)35(21)31-17-13-23-12-16-28-32(18-14-24-11-15-27(31)33(23)34(24)28)36-22(2)20-26-8-4-6-10-30(26)36/h5-20H,21-24H2,1-4H3;6-17,20-21H,2-5,18-19H2;3-10,15-24H,11-14H2,1-2H3;3-18,21-22H,19-20H2,1-2H3.
What are the key properties of 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline?
1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 1992.63 g/mol, XLogP of 37.68, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)pyren-1-yl]-4,4-dimethyl-2,3-dihydroquinoline;1-[6-(6-isocyano-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline-6-carbonitrile;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 159523781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).