1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine

C45H29NS — CID 170007448

IUPAC1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESC1=c2c(-c3ccc4ccccc4c3)c3ccc(-c4nccc5c4sc4ccccc45)cc3c(-c3ccc4ccccc4c3)c2=CCC1
InChIInChI=1S/C45H29NS/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45/h1-4,7-27H,5-6H2
InChIKeyOMGMBHAOLIHLGT-UHFFFAOYSA-N
MW615.80 g/mol
LogP11.26
Rot. Bonds3

About 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine

1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 170007448) has the molecular formula C45H29NS and a molecular weight of 615.80 g/mol. Its IUPAC name is 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID170007448
Molecular FormulaC45H29NS
Molecular Weight615.80 g/mol
Exact Mass615.20
IUPAC Name1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESC1=c2c(-c3ccc4ccccc4c3)c3ccc(-c4nccc5c4sc4ccccc45)cc3c(-c3ccc4ccccc4c3)c2=CCC1
InChIInChI=1S/C45H29NS/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45/h1-4,7-27H,5-6H2
InChIKeyOMGMBHAOLIHLGT-UHFFFAOYSA-N
XLogP11.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.80
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]pyridine;1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-[1]benzothiolo[2,3-c]pyridine;1-(9,10-diphenylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 158257639
lithium;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;quinolin-1-ium-8-olate
CID 159942085
lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 160864312
9,9-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)-2,3-dihydroanthracen-9-yl]-15-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 164704355
9-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130186430
1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159158381
12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-i]phenanthridine
CID 129124535
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
CID 59413088
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
1-isoquinolin-3-yl-[1]benzothiolo[2,3-c]pyridine
CID 168745873
4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186438

Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine (CID 170007448) is 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine is C1=c2c(-c3ccc4ccccc4c3)c3ccc(-c4nccc5c4sc4ccccc45)cc3c(-c3ccc4ccccc4c3)c2=CCC1.
What is the InChIKey of 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is OMGMBHAOLIHLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NS/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45/h1-4,7-27H,5-6H2.
What are the key properties of 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine?
1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 615.80 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 170007448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).