5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole

C44H25NS — CID 118581057

IUPAC5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)ccc5c4)ccc-2c13
InChIInChI=1S/C44H25NS/c1-2-9-32-31(8-1)35-13-7-12-34-30(20-21-36(32)42(34)35)28-17-16-27-25-29(19-18-26(27)24-28)45-39-14-5-3-11-38(39)43-40(45)23-22-37-33-10-4-6-15-41(33)46-44(37)43/h1-25H
InChIKeyORCGXZSRZTWXCC-UHFFFAOYSA-N
MW599.76 g/mol
LogP12.77
Rot. Bonds2

About 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole

5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 118581057) has the molecular formula C44H25NS and a molecular weight of 599.76 g/mol. Its IUPAC name is 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID118581057
Molecular FormulaC44H25NS
Molecular Weight599.76 g/mol
Exact Mass599.17
IUPAC Name5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)ccc5c4)ccc-2c13
InChIInChI=1S/C44H25NS/c1-2-9-32-31(8-1)35-13-7-12-34-30(20-21-36(32)42(34)35)28-17-16-27-25-29(19-18-26(27)24-28)45-39-14-5-3-11-38(39)43-40(45)23-22-37-33-10-4-6-15-41(33)46-44(37)43/h1-25H
InChIKeyORCGXZSRZTWXCC-UHFFFAOYSA-N
XLogP12.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.76
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole 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

9-(6-fluoranthen-3-ylnaphthalen-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580971
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
2,3,5-tri(carbazol-9-yl)-6-(2-fluoranthen-3-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166567207
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
CID 87156414
9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 162177194
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
9-[4-(2,5-diphenylphenyl)phenyl]-23-thia-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122466058
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 129300030
7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351413
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146533082

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole (CID 118581057) is 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)ccc5c4)ccc-2c13.
What is the InChIKey of 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ORCGXZSRZTWXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NS/c1-2-9-32-31(8-1)35-13-7-12-34-30(20-21-36(32)42(34)35)28-17-16-27-25-29(19-18-26(27)24-28)45-39-14-5-3-11-38(39)43-40(45)23-22-37-33-10-4-6-15-41(33)46-44(37)43/h1-25H.
What are the key properties of 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 599.76 g/mol, XLogP of 12.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 118581057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).