10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole

C133H87N3S3 — CID 159176849

IUPAC10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)sc7c6c5c4)c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)sc7c6c5c4)c3)cc21.c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc5c4c3s2)cc1
InChIInChI=1S/C46H31NS.C45H27NS.C42H29NS/c1-46(2)39-23-20-28-9-6-7-14-36(28)43(39)37-22-19-35(27-40(37)46)33-13-8-12-32(25-33)34-18-16-29-15-17-30-21-24-41-44(42(30)38(29)26-34)48-45(47-41)31-10-4-3-5-11-31;1-2-9-30(10-3-1)45-46-42-24-22-29-19-17-28-18-20-33(26-40(28)43(29)44(42)47-45)31-11-8-12-32(25-31)34-21-23-39-37-15-5-4-13-35(37)36-14-6-7-16-38(36)41(39)27-34;1-42(2)36-14-7-6-13-33(36)34-21-19-32(25-37(34)42)30-12-8-11-29(23-30)31-18-16-26-15-17-27-20-22-38-40(39(27)35(26)24-31)44-41(43-38)28-9-4-3-5-10-28/h3-27H,1-2H3;1-27H;3-25H,1-2H3
InChIKeyKMJTWNHTAOSVAM-UHFFFAOYSA-N
MW1823.38 g/mol
LogP38.04
Rot. Bonds9

About 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole

10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole (PubChem CID 159176849) has the molecular formula C133H87N3S3 and a molecular weight of 1823.38 g/mol. Its IUPAC name is 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole.

Molecular Properties

Compound Name10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole
PubChem CID159176849
Molecular FormulaC133H87N3S3
Molecular Weight1823.38 g/mol
Exact Mass1821.61
IUPAC Name10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)sc7c6c5c4)c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)sc7c6c5c4)c3)cc21.c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc5c4c3s2)cc1
InChIInChI=1S/C46H31NS.C45H27NS.C42H29NS/c1-46(2)39-23-20-28-9-6-7-14-36(28)43(39)37-22-19-35(27-40(37)46)33-13-8-12-32(25-33)34-18-16-29-15-17-30-21-24-41-44(42(30)38(29)26-34)48-45(47-41)31-10-4-3-5-11-31;1-2-9-30(10-3-1)45-46-42-24-22-29-19-17-28-18-20-33(26-40(28)43(29)44(42)47-45)31-11-8-12-32(25-31)34-21-23-39-37-15-5-4-13-35(37)36-14-6-7-16-38(36)41(39)27-34;1-42(2)36-14-7-6-13-33(36)34-21-19-32(25-37(34)42)30-12-8-11-29(23-30)31-18-16-26-15-17-27-20-22-38-40(39(27)35(26)24-31)44-41(43-38)28-9-4-3-5-10-28/h3-27H,1-2H3;1-27H;3-25H,1-2H3
InChIKeyKMJTWNHTAOSVAM-UHFFFAOYSA-N
XLogP38.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001823.38
LogP ≤ 538.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole with MolForge

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Related Compounds

9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzothiazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzothiazole
CID 160824152
2-(9,9-dimethylfluoren-2-yl)-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393298
9,9-dimethyl-N-[4-(2-phenylnaphtho[1,2-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174294873
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 147893575
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene;11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
CID 159060901
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158392620

Frequently Asked Questions

What is the IUPAC name of 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole?
The IUPAC name of 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole (CID 159176849) is 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole.
What is the SMILES notation for 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole?
The canonical SMILES for 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole is CC1(C)c2cc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)sc7c6c5c4)c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)sc7c6c5c4)c3)cc21.c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)cc5c4c3s2)cc1.
What is the InChIKey of 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole?
The InChIKey is KMJTWNHTAOSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS.C45H27NS.C42H29NS/c1-46(2)39-23-20-28-9-6-7-14-36(28)43(39)37-22-19-35(27-40(37)46)33-13-8-12-32(25-33)34-18-16-29-15-17-30-21-24-41-44(42(30)38(29)26-34)48-45(47-41)31-10-4-3-5-11-31;1-2-9-30(10-3-1)45-46-42-24-22-29-19-17-28-18-20-33(26-40(28)43(29)44(42)47-45)31-11-8-12-32(25-31)34-21-23-39-37-15-5-4-13-35(37)36-14-6-7-16-38(36)41(39)27-34;1-42(2)36-14-7-6-13-33(36)34-21-19-32(25-37(34)42)30-12-8-11-29(23-30)31-18-16-26-15-17-27-20-22-38-40(39(27)35(26)24-31)44-41(43-38)28-9-4-3-5-10-28/h3-27H,1-2H3;1-27H;3-25H,1-2H3.
What are the key properties of 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole?
10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole has a molecular weight of 1823.38 g/mol, XLogP of 38.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzothiazole;2-phenyl-10-(3-triphenylen-2-ylphenyl)naphtho[2,1-g][1,3]benzothiazole is sourced from PubChem (CID 159176849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).