9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole

C55H35NS — CID 118098886

IUPAC9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2-3)cc1
InChIInChI=1S/C55H35NS/c1-5-15-36(16-6-1)38-25-30-49-45(33-38)46-34-39(37-17-7-2-8-18-37)26-31-50(46)56(49)42-27-28-43-48(35-42)55(40-19-9-3-10-20-40,41-21-11-4-12-22-41)47-29-32-52-54(53(43)47)44-23-13-14-24-51(44)57-52/h1-35H
InChIKeyUSWCLDVELBXZBR-UHFFFAOYSA-N
MW741.96 g/mol
LogP14.85
Rot. Bonds5

About 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole

9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole (PubChem CID 118098886) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
PubChem CID118098886
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC Name9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2-3)cc1
InChIInChI=1S/C55H35NS/c1-5-15-36(16-6-1)38-25-30-49-45(33-38)46-34-39(37-17-7-2-8-18-37)26-31-50(46)56(49)42-27-28-43-48(35-42)55(40-19-9-3-10-20-40,41-21-11-4-12-22-41)47-29-32-52-54(53(43)47)44-23-13-14-24-51(44)57-52/h1-35H
InChIKeyUSWCLDVELBXZBR-UHFFFAOYSA-N
XLogP14.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.96
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 162197577
9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole
CID 163436082
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
N-[4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491968
14,14-diphenyl-9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161419059
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 154602202

Frequently Asked Questions

What is the IUPAC name of 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole (CID 118098886) is 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2-3)cc1.
What is the InChIKey of 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?
The InChIKey is USWCLDVELBXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-5-15-36(16-6-1)38-25-30-49-45(33-38)46-34-39(37-17-7-2-8-18-37)26-31-50(46)56(49)42-27-28-43-48(35-42)55(40-19-9-3-10-20-40,41-21-11-4-12-22-41)47-29-32-52-54(53(43)47)44-23-13-14-24-51(44)57-52/h1-35H.
What are the key properties of 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?
9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole has a molecular weight of 741.96 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 118098886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).