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

C49H33NS2 — CID 142292975

IUPAC9-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
SMILESC1=CC2=C(CC1)c1cc3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)cc4c3c3cccc2c13.C=CC
InChIInChI=1S/C46H27NS2.C3H6/c1-2-9-30-29(8-1)34-12-7-13-35-45(34)37(30)25-44-46(35)38-23-27(17-21-42(38)49-44)26-16-20-40-36(22-26)31-10-3-5-14-39(31)47(40)28-18-19-33-32-11-4-6-15-41(32)48-43(33)24-28;1-3-2/h1,3-8,10-25H,2,9H2;3H,1H2,2H3
InChIKeyDRCQUDKYSLLPKE-UHFFFAOYSA-N
MW699.94 g/mol
LogP15.11
Rot. Bonds2

About 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

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 (PubChem CID 142292975) has the molecular formula C49H33NS2 and a molecular weight of 699.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID142292975
Molecular FormulaC49H33NS2
Molecular Weight699.94 g/mol
Exact Mass699.21
IUPAC Name9-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
SMILESC1=CC2=C(CC1)c1cc3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)cc4c3c3cccc2c13.C=CC
InChIInChI=1S/C46H27NS2.C3H6/c1-2-9-30-29(8-1)34-12-7-13-35-45(34)37(30)25-44-46(35)38-23-27(17-21-42(38)49-44)26-16-20-40-36(22-26)31-10-3-5-14-39(31)47(40)28-18-19-33-32-11-4-6-15-41(32)48-43(33)24-28;1-3-2/h1,3-8,10-25H,2,9H2;3H,1H2,2H3
InChIKeyDRCQUDKYSLLPKE-UHFFFAOYSA-N
XLogP15.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.94
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
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
9-dibenzothiophen-3-yl-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301066
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=C(CC1)c1cc3sc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)cc4c3c3cccc2c13.C=CC.
What is the InChIKey of 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?
The InChIKey is DRCQUDKYSLLPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NS2.C3H6/c1-2-9-30-29(8-1)34-12-7-13-35-45(34)37(30)25-44-46(35)38-23-27(17-21-42(38)49-44)26-16-20-40-36(22-26)31-10-3-5-14-39(31)47(40)28-18-19-33-32-11-4-6-15-41(32)48-43(33)24-28;1-3-2/h1,3-8,10-25H,2,9H2;3H,1H2,2H3.
What are the key properties of 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?
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 has a molecular weight of 699.94 g/mol, XLogP of 15.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142292975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).