2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene

C244H235N15O2S4 — CID 158169633

IUPAC2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene
SMILESCC(C)(C)C.CN(c1ccccc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc(-c2cccnc2)n1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccncc1.Cc1ccsc1.Cc1cnc(-c2ccccc2)nc1.Cc1cncnc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H15N.C17H15N.C16H16.C13H11N.C13H13N.C13H10O.3C13H10S.3C11H10N2.2C11H10.3C7H8.3C6H7N.C5H6N2.C5H6O.C5H6S.C5H12/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;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;4*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-4-2-6-11(13-9)10-5-3-7-12-8-10;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;2*1-9-5-4-7-10-6-2-3-8-11(9)10;3*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5(2,3)4/h2-13H,1H3;2-13H,1H3;4-10H,1-3H3;2-9H,1H3;2-11H,1H3;4*2-8H,1H3;3*2-8H,1H3;2*2-8H,1H3;3*2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2*2-4H,1H3;1-4H3
InChIKeyFXHCTOKKMORMKD-UHFFFAOYSA-N
MW3537.93 g/mol
LogP68.06
Rot. Bonds8

About 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene

2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene (PubChem CID 158169633) has the molecular formula C244H235N15O2S4 and a molecular weight of 3537.93 g/mol. Its IUPAC name is 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene.

Molecular Properties

Compound Name2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene
PubChem CID158169633
Molecular FormulaC244H235N15O2S4
Molecular Weight3537.93 g/mol
Exact Mass3534.76
IUPAC Name2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene
SMILESCC(C)(C)C.CN(c1ccccc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc(-c2cccnc2)n1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccncc1.Cc1ccsc1.Cc1cnc(-c2ccccc2)nc1.Cc1cncnc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H15N.C17H15N.C16H16.C13H11N.C13H13N.C13H10O.3C13H10S.3C11H10N2.2C11H10.3C7H8.3C6H7N.C5H6N2.C5H6O.C5H6S.C5H12/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;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;4*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-4-2-6-11(13-9)10-5-3-7-12-8-10;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;2*1-9-5-4-7-10-6-2-3-8-11(9)10;3*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5(2,3)4/h2-13H,1H3;2-13H,1H3;4-10H,1-3H3;2-9H,1H3;2-11H,1H3;4*2-8H,1H3;3*2-8H,1H3;2*2-8H,1H3;3*2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2*2-4H,1H3;1-4H3
InChIKeyFXHCTOKKMORMKD-UHFFFAOYSA-N
XLogP68.06
TPSA184.41 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003537.93
LogP ≤ 568.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
The IUPAC name of 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene (CID 158169633) is 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene.
What is the SMILES notation for 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
The canonical SMILES for 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene is CC(C)(C)C.CN(c1ccccc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc(-c2cccnc2)n1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccncc1.Cc1ccsc1.Cc1cnc(-c2ccccc2)nc1.Cc1cncnc1.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
The InChIKey is FXHCTOKKMORMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C17H15N.C16H16.C13H11N.C13H13N.C13H10O.3C13H10S.3C11H10N2.2C11H10.3C7H8.3C6H7N.C5H6N2.C5H6O.C5H6S.C5H12/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;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;4*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-4-2-6-11(13-9)10-5-3-7-12-8-10;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;2*1-9-5-4-7-10-6-2-3-8-11(9)10;3*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5(2,3)4/h2-13H,1H3;2-13H,1H3;4-10H,1-3H3;2-9H,1H3;2-11H,1H3;4*2-8H,1H3;3*2-8H,1H3;2*2-8H,1H3;3*2-6H,1H3;3*2-5H,1H3;2-4H,1H3;2*2-4H,1H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene has a molecular weight of 3537.93 g/mol, XLogP of 68.06, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene is sourced from PubChem (CID 158169633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).