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

C147H89N3S3 — CID 158257639

IUPAC1-[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
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4nccc5c4sc4ccccc45)ccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6nccc7c6sc6ccccc67)c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6cc(-c7nccc8c7sc7ccccc78)ccc6c5)ccc34)ccc2c1
InChIInChI=1S/2C55H33NS.C37H23NS/c1-3-13-36-31-39(23-21-34(36)11-1)52-45-18-7-8-19-46(45)53(40-24-22-35-12-2-4-14-37(35)32-40)50-33-38(25-26-47(50)52)41-27-28-48(43-16-6-5-15-42(41)43)54-55-49(29-30-56-54)44-17-9-10-20-51(44)57-55;1-3-11-36-30-42(22-17-34(36)9-1)52-46-14-5-6-15-47(46)53(43-23-18-35-10-2-4-12-37(35)31-43)50-33-41(25-26-48(50)52)39-19-20-40-32-44(24-21-38(40)29-39)54-55-49(27-28-56-54)45-13-7-8-16-51(45)57-55;1-3-11-24(12-4-1)34-28-16-7-8-17-29(28)35(25-13-5-2-6-14-25)32-23-26(19-20-30(32)34)36-37-31(21-22-38-36)27-15-9-10-18-33(27)39-37/h2*1-33H;1-23H
InChIKeyGHMBIVNYZFKLIJ-UHFFFAOYSA-N
MW1993.55 g/mol
LogP42.52
Rot. Bonds11

About 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

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 (PubChem CID 158257639) has the molecular formula C147H89N3S3 and a molecular weight of 1993.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158257639
Molecular FormulaC147H89N3S3
Molecular Weight1993.55 g/mol
Exact Mass1991.62
IUPAC Name1-[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
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4nccc5c4sc4ccccc45)ccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6nccc7c6sc6ccccc67)c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6cc(-c7nccc8c7sc7ccccc78)ccc6c5)ccc34)ccc2c1
InChIInChI=1S/2C55H33NS.C37H23NS/c1-3-13-36-31-39(23-21-34(36)11-1)52-45-18-7-8-19-46(45)53(40-24-22-35-12-2-4-14-37(35)32-40)50-33-38(25-26-47(50)52)41-27-28-48(43-16-6-5-15-42(41)43)54-55-49(29-30-56-54)44-17-9-10-20-51(44)57-55;1-3-11-36-30-42(22-17-34(36)9-1)52-46-14-5-6-15-47(46)53(43-23-18-35-10-2-4-12-37(35)31-43)50-33-41(25-26-48(50)52)39-19-20-40-32-44(24-21-38(40)29-39)54-55-49(27-28-56-54)45-13-7-8-16-51(45)57-55;1-3-11-24(12-4-1)34-28-16-7-8-17-29(28)35(25-13-5-2-6-14-25)32-23-26(19-20-30(32)34)36-37-31(21-22-38-36)27-15-9-10-18-33(27)39-37/h2*1-33H;1-23H
InChIKeyGHMBIVNYZFKLIJ-UHFFFAOYSA-N
XLogP42.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001993.55
LogP ≤ 542.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 170007448
lithium;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;quinolin-1-ium-8-olate
CID 159942085
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
CID 59413088
16-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186367
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
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
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
8-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122427185
4-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 161060928
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4nccc5c4sc4ccccc45)ccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6nccc7c6sc6ccccc67)c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6cc(-c7nccc8c7sc7ccccc78)ccc6c5)ccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is GHMBIVNYZFKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H33NS.C37H23NS/c1-3-13-36-31-39(23-21-34(36)11-1)52-45-18-7-8-19-46(45)53(40-24-22-35-12-2-4-14-37(35)32-40)50-33-38(25-26-47(50)52)41-27-28-48(43-16-6-5-15-42(41)43)54-55-49(29-30-56-54)44-17-9-10-20-51(44)57-55;1-3-11-36-30-42(22-17-34(36)9-1)52-46-14-5-6-15-47(46)53(43-23-18-35-10-2-4-12-37(35)31-43)50-33-41(25-26-48(50)52)39-19-20-40-32-44(24-21-38(40)29-39)54-55-49(27-28-56-54)45-13-7-8-16-51(45)57-55;1-3-11-24(12-4-1)34-28-16-7-8-17-29(28)35(25-13-5-2-6-14-25)32-23-26(19-20-30(32)34)36-37-31(21-22-38-36)27-15-9-10-18-33(27)39-37/h2*1-33H;1-23H.
What are the key properties of 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?
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 has a molecular weight of 1993.55 g/mol, XLogP of 42.52, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158257639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).