2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole

C52H33NS — CID 142292988

IUPAC2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole
SMILESC=Cc1c(C=C)n(-c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc(-c3ccc4sc5cc6c7c(cccc7c5c4c3)C3=C6CCC=C3)cc12
InChIInChI=1S/C52H33NS/c1-3-33-44-26-30(31-21-25-49-46(27-31)52-42-19-11-18-41-37-15-8-10-17-39(37)45(51(41)42)29-50(52)54-49)20-24-48(44)53(47(33)4-2)32-22-23-40-36-14-6-5-12-34(36)35-13-7-9-16-38(35)43(40)28-32/h3-9,11-16,18-29H,1-2,10,17H2
InChIKeyRVLYDDLEWDIKND-UHFFFAOYSA-N
MW703.91 g/mol
LogP15.14
Rot. Bonds4

About 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole

2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole (PubChem CID 142292988) has the molecular formula C52H33NS and a molecular weight of 703.91 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole.

Molecular Properties

Compound Name2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole
PubChem CID142292988
Molecular FormulaC52H33NS
Molecular Weight703.91 g/mol
Exact Mass703.23
IUPAC Name2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole
SMILESC=Cc1c(C=C)n(-c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc(-c3ccc4sc5cc6c7c(cccc7c5c4c3)C3=C6CCC=C3)cc12
InChIInChI=1S/C52H33NS/c1-3-33-44-26-30(31-21-25-49-46(27-31)52-42-19-11-18-41-37-15-8-10-17-39(37)45(51(41)42)29-50(52)54-49)20-24-48(44)53(47(33)4-2)32-22-23-40-36-14-6-5-12-34(36)35-13-7-9-16-38(35)43(40)28-32/h3-9,11-16,18-29H,1-2,10,17H2
InChIKeyRVLYDDLEWDIKND-UHFFFAOYSA-N
XLogP15.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.91
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole with MolForge

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Related Compounds

2,3-bis(ethenyl)-1-(4-phenylphenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)indole;buta-1,3-diene;(Z)-but-2-ene;ethane
CID 142292984
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)carbazole;prop-1-ene
CID 142292975
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301090
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,3-bis(ethenyl)-5-[13-ethyl-14-[(Z)-prop-1-enyl]-9-thiapentacyclo[10.6.1.02,10.03,8.015,19]nonadeca-1(19),2(10),3(8),4,6,11,13,15,17-nonaen-5-yl]indole;prop-1-ene
CID 142292939
9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole
CID 139518027
9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301089
butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole
CID 142293100
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937
3-[3-ethenyl-1-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(9H-fluoren-3-yl)carbazole
CID 144619407
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole?
The IUPAC name of 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole (CID 142292988) is 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole.
What is the SMILES notation for 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole?
The canonical SMILES for 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole is C=Cc1c(C=C)n(-c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc(-c3ccc4sc5cc6c7c(cccc7c5c4c3)C3=C6CCC=C3)cc12.
What is the InChIKey of 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole?
The InChIKey is RVLYDDLEWDIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS/c1-3-33-44-26-30(31-21-25-49-46(27-31)52-42-19-11-18-41-37-15-8-10-17-39(37)45(51(41)42)29-50(52)54-49)20-24-48(44)53(47(33)4-2)32-22-23-40-36-14-6-5-12-34(36)35-13-7-9-16-38(35)43(40)28-32/h3-9,11-16,18-29H,1-2,10,17H2.
What are the key properties of 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole?
2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole has a molecular weight of 703.91 g/mol, XLogP of 15.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-1-triphenylen-2-ylindole is sourced from PubChem (CID 142292988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).