14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene

C60H39NS2 — CID 144741006

IUPAC14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene
SMILESC=C(C)c1cccc2cccc(C)c12.c1ccc2c(c1)-c1cccc3c(-c4ccc5sc6ccc(-n7c8ccccc8c8c9c(ccc87)sc7ccccc79)cc6c5c4)ccc-2c13
InChIInChI=1S/C46H25NS2.C14H14/c1-2-9-30-29(8-1)32-13-7-12-31-28(18-19-33(30)44(31)32)26-16-21-41-36(24-26)37-25-27(17-22-42(37)48-41)47-38-14-5-3-10-34(38)45-39(47)20-23-43-46(45)35-11-4-6-15-40(35)49-43;1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13/h1-25H;4-9H,1H2,2-3H3
InChIKeyVPHHHYVBNXWLJG-UHFFFAOYSA-N
MW838.11 g/mol
LogP18.17
Rot. Bonds3

About 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene

14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene (PubChem CID 144741006) has the molecular formula C60H39NS2 and a molecular weight of 838.11 g/mol. Its IUPAC name is 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene.

Molecular Properties

Compound Name14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene
PubChem CID144741006
Molecular FormulaC60H39NS2
Molecular Weight838.11 g/mol
Exact Mass837.25
IUPAC Name14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene
SMILESC=C(C)c1cccc2cccc(C)c12.c1ccc2c(c1)-c1cccc3c(-c4ccc5sc6ccc(-n7c8ccccc8c8c9c(ccc87)sc7ccccc79)cc6c5c4)ccc-2c13
InChIInChI=1S/C46H25NS2.C14H14/c1-2-9-30-29(8-1)32-13-7-12-31-28(18-19-33(30)44(31)32)26-16-21-41-36(24-26)37-25-27(17-22-42(37)48-41)47-38-14-5-3-10-34(38)45-39(47)20-23-43-46(45)35-11-4-6-15-40(35)49-43;1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13/h1-25H;4-9H,1H2,2-3H3
InChIKeyVPHHHYVBNXWLJG-UHFFFAOYSA-N
XLogP18.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.11
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene 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-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
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
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118581057
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
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,3-dimethyl-2-prop-1-en-2-ylbenzene;ethane
CID 144741004
14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593702
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
CID 144820946
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582

Frequently Asked Questions

What is the IUPAC name of 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene?
The IUPAC name of 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene (CID 144741006) is 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene.
What is the SMILES notation for 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene?
The canonical SMILES for 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene is C=C(C)c1cccc2cccc(C)c12.c1ccc2c(c1)-c1cccc3c(-c4ccc5sc6ccc(-n7c8ccccc8c8c9c(ccc87)sc7ccccc79)cc6c5c4)ccc-2c13.
What is the InChIKey of 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene?
The InChIKey is VPHHHYVBNXWLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25NS2.C14H14/c1-2-9-30-29(8-1)32-13-7-12-31-28(18-19-33(30)44(31)32)26-16-21-41-36(24-26)37-25-27(17-22-42(37)48-41)47-38-14-5-3-10-34(38)45-39(47)20-23-43-46(45)35-11-4-6-15-40(35)49-43;1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13/h1-25H;4-9H,1H2,2-3H3.
What are the key properties of 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene?
14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene has a molecular weight of 838.11 g/mol, XLogP of 18.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1-methyl-8-prop-1-en-2-ylnaphthalene is sourced from PubChem (CID 144741006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).