1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole

C164H133N15S — CID 158053948

IUPAC1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole
SMILESC.CC(C)c1ccc2cc[nH]c2c1-c1ccccc1.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3ccc(-c4ccccc4)nn3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3ccc(-c4cncc5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3cnc(-c4ccccc4)cn3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3cnnc(-c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3nncc4ccccc34)c21.c1ccc2sccc2c1
InChIInChI=1S/C32H24N2.3C27H21N3.C25H19N3.C17H17N.C8H6S.CH4/c1-32(2)28-10-6-5-9-26(28)30-29(32)16-13-22-17-18-34(31(22)30)24-14-11-21(12-15-24)27-20-33-19-23-7-3-4-8-25(23)27;1-27(2)22-11-7-6-10-21(22)25-23(27)13-12-19-14-15-30(26(19)25)20-16-24(29-28-17-20)18-8-4-3-5-9-18;1-27(2)21-11-7-6-10-20(21)25-22(27)13-12-19-14-15-30(26(19)25)24-17-28-23(16-29-24)18-8-4-3-5-9-18;1-27(2)21-11-7-6-10-20(21)25-22(27)13-12-19-16-17-30(26(19)25)24-15-14-23(28-29-24)18-8-4-3-5-9-18;1-25(2)20-10-6-5-9-19(20)22-21(25)12-11-16-13-14-28(23(16)22)24-18-8-4-3-7-17(18)15-26-27-24;1-12(2)15-9-8-14-10-11-18-17(14)16(15)13-6-4-3-5-7-13;1-2-4-8-7(3-1)5-6-9-8;/h3-20H,1-2H3;3*3-17H,1-2H3;3-15H,1-2H3;3-12,18H,1-2H3;1-6H;1H4
InChIKeyFJUVCJHMAGFPTD-UHFFFAOYSA-N
MW2346.04 g/mol
LogP41.71
Rot. Bonds11

About 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole

1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole (PubChem CID 158053948) has the molecular formula C164H133N15S and a molecular weight of 2346.04 g/mol. Its IUPAC name is 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole.

Molecular Properties

Compound Name1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole
PubChem CID158053948
Molecular FormulaC164H133N15S
Molecular Weight2346.04 g/mol
Exact Mass2344.06
IUPAC Name1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole
SMILESC.CC(C)c1ccc2cc[nH]c2c1-c1ccccc1.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3ccc(-c4ccccc4)nn3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3ccc(-c4cncc5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3cnc(-c4ccccc4)cn3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3cnnc(-c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3nncc4ccccc34)c21.c1ccc2sccc2c1
InChIInChI=1S/C32H24N2.3C27H21N3.C25H19N3.C17H17N.C8H6S.CH4/c1-32(2)28-10-6-5-9-26(28)30-29(32)16-13-22-17-18-34(31(22)30)24-14-11-21(12-15-24)27-20-33-19-23-7-3-4-8-25(23)27;1-27(2)22-11-7-6-10-21(22)25-23(27)13-12-19-14-15-30(26(19)25)20-16-24(29-28-17-20)18-8-4-3-5-9-18;1-27(2)21-11-7-6-10-20(21)25-22(27)13-12-19-14-15-30(26(19)25)24-17-28-23(16-29-24)18-8-4-3-5-9-18;1-27(2)21-11-7-6-10-20(21)25-22(27)13-12-19-16-17-30(26(19)25)24-15-14-23(28-29-24)18-8-4-3-5-9-18;1-25(2)20-10-6-5-9-19(20)22-21(25)12-11-16-13-14-28(23(16)22)24-18-8-4-3-7-17(18)15-26-27-24;1-12(2)15-9-8-14-10-11-18-17(14)16(15)13-6-4-3-5-7-13;1-2-4-8-7(3-1)5-6-9-8;/h3-20H,1-2H3;3*3-17H,1-2H3;3-15H,1-2H3;3-12,18H,1-2H3;1-6H;1H4
InChIKeyFJUVCJHMAGFPTD-UHFFFAOYSA-N
XLogP41.71
TPSA156.45 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.04
LogP ≤ 541.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole with MolForge

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Related Compounds

2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;7-N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2-N,2-N,7-N-tris(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine;tris(iridium);tris(1-phenylisoquinoline);1-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]benzotriazole;2-(3H-thiophen-3-id-2-yl)-5-thiophen-2-ylpyridine
CID 159507877
2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tris(1-phenylisoquinoline);1-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]benzotriazole;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine;2-(3H-thiophen-3-id-2-yl)-5-thiophen-2-ylpyridine
CID 160239179
2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine;tris(iridium);methane;tris(1-phenylisoquinoline);1-[4-[4-phenyl-5-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]benzotriazole;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine;2-(3H-thiophen-3-id-2-yl)-5-thiophen-2-ylpyridine
CID 162068448
3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
CID 165051058
3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
CID 140971019
4-(cyclopenten-1-yl)-2-(5-piperidin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(2,3-dihydrothiophen-4-yl)-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 145034379
tris(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157062614
CID 157065666
CID 157065666
5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine
CID 157067530
4-dibenzothiophen-4-yl-2-[3-[(1Z)-3-methylidene-4-[2-(1-phenylindol-2-yl)phenyl]penta-1,4-dienyl]indol-1-yl]quinazoline;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)-3,4-dihydrocarbazol-2-yl]-11-phenyl-4a,11b-dihydrobenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenylbenzo[a]carbazole
CID 157128427
benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene
CID 157147634
5-Tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 157165036

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole?
The IUPAC name of 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole (CID 158053948) is 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole.
What is the SMILES notation for 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole?
The canonical SMILES for 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole is C.CC(C)c1ccc2cc[nH]c2c1-c1ccccc1.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3ccc(-c4ccccc4)nn3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3ccc(-c4cncc5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3cnc(-c4ccccc4)cn3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3cnnc(-c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2c1ccc1ccn(-c3nncc4ccccc34)c21.c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole?
The InChIKey is FJUVCJHMAGFPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2.3C27H21N3.C25H19N3.C17H17N.C8H6S.CH4/c1-32(2)28-10-6-5-9-26(28)30-29(32)16-13-22-17-18-34(31(22)30)24-14-11-21(12-15-24)27-20-33-19-23-7-3-4-8-25(23)27;1-27(2)22-11-7-6-10-21(22)25-23(27)13-12-19-14-15-30(26(19)25)20-16-24(29-28-17-20)18-8-4-3-5-9-18;1-27(2)21-11-7-6-10-20(21)25-22(27)13-12-19-14-15-30(26(19)25)24-17-28-23(16-29-24)18-8-4-3-5-9-18;1-27(2)21-11-7-6-10-20(21)25-22(27)13-12-19-16-17-30(26(19)25)24-15-14-23(28-29-24)18-8-4-3-5-9-18;1-25(2)20-10-6-5-9-19(20)22-21(25)12-11-16-13-14-28(23(16)22)24-18-8-4-3-7-17(18)15-26-27-24;1-12(2)15-9-8-14-10-11-18-17(14)16(15)13-6-4-3-5-7-13;1-2-4-8-7(3-1)5-6-9-8;/h3-20H,1-2H3;3*3-17H,1-2H3;3-15H,1-2H3;3-12,18H,1-2H3;1-6H;1H4.
What are the key properties of 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole?
1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole has a molecular weight of 2346.04 g/mol, XLogP of 41.71, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole is sourced from PubChem (CID 158053948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).