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

C48H27NS — CID 118580971

IUPAC9-(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
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-n6c7ccccc7c7c8ccc9c%10ccccc%10sc9c8ccc76)ccc5c4)ccc-2c13
InChIInChI=1S/C48H27NS/c1-2-9-34-33(8-1)37-13-7-12-36-32(20-21-38(34)46(36)37)30-17-16-29-27-31(19-18-28(29)26-30)49-43-14-5-3-11-42(43)47-39-22-23-40-35-10-4-6-15-45(35)50-48(40)41(39)24-25-44(47)49/h1-27H
InChIKeyXCOWGEMMRRDZEB-UHFFFAOYSA-N
MW649.82 g/mol
LogP13.93
Rot. Bonds2

About 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

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 (PubChem CID 118580971) has the molecular formula C48H27NS and a molecular weight of 649.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID118580971
Molecular FormulaC48H27NS
Molecular Weight649.82 g/mol
Exact Mass649.19
IUPAC Name9-(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
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-n6c7ccccc7c7c8ccc9c%10ccccc%10sc9c8ccc76)ccc5c4)ccc-2c13
InChIInChI=1S/C48H27NS/c1-2-9-34-33(8-1)37-13-7-12-36-32(20-21-38(34)46(36)37)30-17-16-29-27-31(19-18-28(29)26-30)49-43-14-5-3-11-42(43)47-39-22-23-40-35-10-4-6-15-45(35)50-48(40)41(39)24-25-44(47)49/h1-27H
InChIKeyXCOWGEMMRRDZEB-UHFFFAOYSA-N
XLogP13.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.82
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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

5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118581057
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
CID 87156414
7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351413
9-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580852
12-(4-fluoranthen-3-ylphenyl)-16-thia-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 118580828
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
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
4,9,14-trinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170928009
3-dibenzothiophen-4-yl-9-perylen-2-ylcarbazole
CID 87156361
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-n6c7ccccc7c7c8ccc9c%10ccccc%10sc9c8ccc76)ccc5c4)ccc-2c13.
What is the InChIKey of 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?
The InChIKey is XCOWGEMMRRDZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NS/c1-2-9-34-33(8-1)37-13-7-12-36-32(20-21-38(34)46(36)37)30-17-16-29-27-31(19-18-28(29)26-30)49-43-14-5-3-11-42(43)47-39-22-23-40-35-10-4-6-15-45(35)50-48(40)41(39)24-25-44(47)49/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 649.82 g/mol, XLogP of 13.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118580971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).