anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole

C157H195N7O2 — CID 158585495

IUPACanthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c2ccccc2c(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccccc1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)n1c2ccccc2c2ccccc21.Cc1ccc(CC(C)C)cc1.c1ccc2[nH]cnc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C20H22.C16H20.C15H15N.C14H10.C12H18.C11H16.C10H12N2.C10H11NO.C10H8.C9H12.C7H6N2.C7H5NO.4C4H10/c1-13(2)19-15-9-5-7-11-17(15)20(14(3)4)18-12-8-6-10-16(18)19;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)8-11-6-4-10(3)5-7-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)9-6-4-3-5-7-9;2*1-2-4-7-6(3-1)8-5-9-7;4*1-4(2)3/h5-14H,1-4H3;5-12H,1-4H3;3-11H,1-2H3;1-10H;5-10H,1-4H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;1-8H;3-8H,1-2H3;1-5H,(H,8,9);1-5H;4*4H,1-3H3
InChIKeyHTTUDPVDBJXJGT-UHFFFAOYSA-N
MW2212.33 g/mol
LogP48.15
Rot. Bonds12

About anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole

anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole (PubChem CID 158585495) has the molecular formula C157H195N7O2 and a molecular weight of 2212.33 g/mol. Its IUPAC name is anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole.

Molecular Properties

Compound Nameanthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole
PubChem CID158585495
Molecular FormulaC157H195N7O2
Molecular Weight2212.33 g/mol
Exact Mass2210.54
IUPAC Nameanthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c2ccccc2c(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccccc1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)n1c2ccccc2c2ccccc21.Cc1ccc(CC(C)C)cc1.c1ccc2[nH]cnc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C20H22.C16H20.C15H15N.C14H10.C12H18.C11H16.C10H12N2.C10H11NO.C10H8.C9H12.C7H6N2.C7H5NO.4C4H10/c1-13(2)19-15-9-5-7-11-17(15)20(14(3)4)18-12-8-6-10-16(18)19;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)8-11-6-4-10(3)5-7-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)9-6-4-3-5-7-9;2*1-2-4-7-6(3-1)8-5-9-7;4*1-4(2)3/h5-14H,1-4H3;5-12H,1-4H3;3-11H,1-2H3;1-10H;5-10H,1-4H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;1-8H;3-8H,1-2H3;1-5H,(H,8,9);1-5H;4*4H,1-3H3
InChIKeyHTTUDPVDBJXJGT-UHFFFAOYSA-N
XLogP48.15
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002212.33
LogP ≤ 548.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole with MolForge

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Related Compounds

methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482405
methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482508
methyl N-[(1S)-1-[(2S,4S)-2-[5-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1H-benzimidazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491521
methyl N-[(1S)-1-[(2S,4S)-2-[6-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491528
US11053243, Example 213
CID 67949560
5-[3-fluoro-5-[3-[2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 126494875
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
CID 158785452
CID 158785452
N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 159084741
CID 159821325
CID 159821325
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium
CID 160020465
N-[(2S)-1-[(5R)-5-[7-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;methyl N-[(1R)-2-[2-[5-[2-[4-[2-[1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzoxazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 160104694

Frequently Asked Questions

What is the IUPAC name of anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole?
The IUPAC name of anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole (CID 158585495) is anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole.
What is the SMILES notation for anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole?
The canonical SMILES for anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c2ccccc2c(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccccc1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)n1c2ccccc2c2ccccc21.Cc1ccc(CC(C)C)cc1.c1ccc2[nH]cnc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ocnc2c1.
What is the InChIKey of anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole?
The InChIKey is HTTUDPVDBJXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.C16H20.C15H15N.C14H10.C12H18.C11H16.C10H12N2.C10H11NO.C10H8.C9H12.C7H6N2.C7H5NO.4C4H10/c1-13(2)19-15-9-5-7-11-17(15)20(14(3)4)18-12-8-6-10-16(18)19;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)8-11-6-4-10(3)5-7-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-8(2)9-6-4-3-5-7-9;2*1-2-4-7-6(3-1)8-5-9-7;4*1-4(2)3/h5-14H,1-4H3;5-12H,1-4H3;3-11H,1-2H3;1-10H;5-10H,1-4H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;1-8H;3-8H,1-2H3;1-5H,(H,8,9);1-5H;4*4H,1-3H3.
What are the key properties of anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole?
anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole has a molecular weight of 2212.33 g/mol, XLogP of 48.15, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1H-benzimidazole;1,3-benzoxazole;cumene;9,10-di(propan-2-yl)anthracene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1-methyl-4-(2-methylpropyl)benzene;tetrakis(2-methylpropane);naphthalene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;9-propan-2-ylcarbazole is sourced from PubChem (CID 158585495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).