2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole

C207H136S6 — CID 158595233

IUPAC2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole
SMILESCC(C)c1ccc2c(ccc3cc(-c4cccc(-c5cc6ccc7ccccc7c6s5)c4)ccc32)c1.Cc1cc2c(ccc3ccccc32)cc1-c1cccc(-c2cc3ccc4ccccc4c3s2)c1.Cc1ccc2c(c1)cc(-c1cccc(-c3cc4ccc5ccccc5c4s3)c1)c1ccccc12.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2cc3ccc4ccccc4c3s2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccc4ccccc4c3s2)c1.c1ccc(-c2cc3ccccc3c3ccc(-c4cccc(-c5cc6ccc7ccccc7c6s5)c4)cc23)cc1
InChIInChI=1S/C38H24S.C36H22S.C35H26S.2C33H22S.C32H20S/c1-2-9-25(10-3-1)35-23-29-12-5-6-15-32(29)34-20-19-28(22-36(34)35)27-13-8-14-30(21-27)37-24-31-18-17-26-11-4-7-16-33(26)38(31)39-37;1-2-11-28-23(8-1)16-17-27-22-35(37-36(27)28)26-10-7-9-24(20-26)25-18-19-33-31-14-4-3-12-29(31)30-13-5-6-15-32(30)34(33)21-25;1-22(2)24-14-16-31-27(18-24)11-12-28-19-26(15-17-32(28)31)25-7-5-8-29(20-25)34-21-30-13-10-23-6-3-4-9-33(23)35(30)36-34;1-21-17-31-25(15-13-22-7-2-4-11-28(22)31)19-30(21)24-9-6-10-26(18-24)32-20-27-16-14-23-8-3-5-12-29(23)33(27)34-32;1-21-13-16-27-26(17-21)19-31(30-12-5-4-11-29(27)30)23-8-6-9-24(18-23)32-20-25-15-14-22-7-2-3-10-28(22)33(25)34-32;1-3-10-28-21(6-1)12-14-25-18-24(16-17-29(25)28)23-8-5-9-26(19-23)31-20-27-15-13-22-7-2-4-11-30(22)32(27)33-31/h1-24H;1-22H;3-22H,1-2H3;2*2-20H,1H3;1-20H
InChIKeyHUYGSHCTDIOPNW-UHFFFAOYSA-N
MW2815.77 g/mol
LogP62.73
Rot. Bonds14

About 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole

2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole (PubChem CID 158595233) has the molecular formula C207H136S6 and a molecular weight of 2815.77 g/mol. Its IUPAC name is 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole.

Molecular Properties

Compound Name2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole
PubChem CID158595233
Molecular FormulaC207H136S6
Molecular Weight2815.77 g/mol
Exact Mass2812.90
IUPAC Name2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole
SMILESCC(C)c1ccc2c(ccc3cc(-c4cccc(-c5cc6ccc7ccccc7c6s5)c4)ccc32)c1.Cc1cc2c(ccc3ccccc32)cc1-c1cccc(-c2cc3ccc4ccccc4c3s2)c1.Cc1ccc2c(c1)cc(-c1cccc(-c3cc4ccc5ccccc5c4s3)c1)c1ccccc12.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2cc3ccc4ccccc4c3s2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccc4ccccc4c3s2)c1.c1ccc(-c2cc3ccccc3c3ccc(-c4cccc(-c5cc6ccc7ccccc7c6s5)c4)cc23)cc1
InChIInChI=1S/C38H24S.C36H22S.C35H26S.2C33H22S.C32H20S/c1-2-9-25(10-3-1)35-23-29-12-5-6-15-32(29)34-20-19-28(22-36(34)35)27-13-8-14-30(21-27)37-24-31-18-17-26-11-4-7-16-33(26)38(31)39-37;1-2-11-28-23(8-1)16-17-27-22-35(37-36(27)28)26-10-7-9-24(20-26)25-18-19-33-31-14-4-3-12-29(31)30-13-5-6-15-32(30)34(33)21-25;1-22(2)24-14-16-31-27(18-24)11-12-28-19-26(15-17-32(28)31)25-7-5-8-29(20-25)34-21-30-13-10-23-6-3-4-9-33(23)35(30)36-34;1-21-17-31-25(15-13-22-7-2-4-11-28(22)31)19-30(21)24-9-6-10-26(18-24)32-20-27-16-14-23-8-3-5-12-29(23)33(27)34-32;1-21-13-16-27-26(17-21)19-31(30-12-5-4-11-29(27)30)23-8-6-9-24(18-23)32-20-25-15-14-22-7-2-3-10-28(22)33(25)34-32;1-3-10-28-21(6-1)12-14-25-18-24(16-17-29(25)28)23-8-5-9-26(19-23)31-20-27-15-13-22-7-2-4-11-30(22)32(27)33-31/h1-24H;1-22H;3-22H,1-2H3;2*2-20H,1H3;1-20H
InChIKeyHUYGSHCTDIOPNW-UHFFFAOYSA-N
XLogP62.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002815.77
LogP ≤ 562.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole
CID 88900017
5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 159374345
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;2,9-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(3,4-diphenylphenyl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(4-methylphenyl)-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-1-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-2-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene
CID 162038318
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
CID 158279425
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene
CID 162097348
9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene
CID 158789115
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole?
The IUPAC name of 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole (CID 158595233) is 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole.
What is the SMILES notation for 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole?
The canonical SMILES for 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole is CC(C)c1ccc2c(ccc3cc(-c4cccc(-c5cc6ccc7ccccc7c6s5)c4)ccc32)c1.Cc1cc2c(ccc3ccccc32)cc1-c1cccc(-c2cc3ccc4ccccc4c3s2)c1.Cc1ccc2c(c1)cc(-c1cccc(-c3cc4ccc5ccccc5c4s3)c1)c1ccccc12.c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(-c2cc3ccc4ccccc4c3s2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccc4ccccc4c3s2)c1.c1ccc(-c2cc3ccccc3c3ccc(-c4cccc(-c5cc6ccc7ccccc7c6s5)c4)cc23)cc1.
What is the InChIKey of 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole?
The InChIKey is HUYGSHCTDIOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24S.C36H22S.C35H26S.2C33H22S.C32H20S/c1-2-9-25(10-3-1)35-23-29-12-5-6-15-32(29)34-20-19-28(22-36(34)35)27-13-8-14-30(21-27)37-24-31-18-17-26-11-4-7-16-33(26)38(31)39-37;1-2-11-28-23(8-1)16-17-27-22-35(37-36(27)28)26-10-7-9-24(20-26)25-18-19-33-31-14-4-3-12-29(31)30-13-5-6-15-32(30)34(33)21-25;1-22(2)24-14-16-31-27(18-24)11-12-28-19-26(15-17-32(28)31)25-7-5-8-29(20-25)34-21-30-13-10-23-6-3-4-9-33(23)35(30)36-34;1-21-17-31-25(15-13-22-7-2-4-11-28(22)31)19-30(21)24-9-6-10-26(18-24)32-20-27-16-14-23-8-3-5-12-29(23)33(27)34-32;1-21-13-16-27-26(17-21)19-31(30-12-5-4-11-29(27)30)23-8-6-9-24(18-23)32-20-25-15-14-22-7-2-3-10-28(22)33(25)34-32;1-3-10-28-21(6-1)12-14-25-18-24(16-17-29(25)28)23-8-5-9-26(19-23)31-20-27-15-13-22-7-2-4-11-30(22)32(27)33-31/h1-24H;1-22H;3-22H,1-2H3;2*2-20H,1H3;1-20H.
What are the key properties of 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole?
2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole has a molecular weight of 2815.77 g/mol, XLogP of 62.73, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenanthren-9-yl)phenyl]benzo[g][1]benzothiole;2-[3-(3-methylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-phenanthren-2-ylphenyl)benzo[g][1]benzothiole;2-[3-(10-phenylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole;2-(3-triphenylen-2-ylphenyl)benzo[g][1]benzothiole is sourced from PubChem (CID 158595233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).