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

C40H23NS2 — CID 163886851

IUPAC2-(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
SMILESc1ccc2cc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5cc7sc8ccccc8c7cc56)cc43)ccc2c1
InChIInChI=1S/C40H23NS2/c1-2-9-25-20-27(18-16-24(25)8-1)41-35-14-5-3-10-29(35)30-19-17-26(21-36(30)41)28-12-7-13-32-34-22-33-31-11-4-6-15-37(31)42-38(33)23-39(34)43-40(28)32/h1-23H
InChIKeyPYCGTZGHRLNWSC-UHFFFAOYSA-N
MW581.77 g/mol
LogP12.34
Rot. Bonds2

About 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

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 (PubChem CID 163886851) has the molecular formula C40H23NS2 and a molecular weight of 581.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID163886851
Molecular FormulaC40H23NS2
Molecular Weight581.77 g/mol
Exact Mass581.13
IUPAC Name2-(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
SMILESc1ccc2cc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5cc7sc8ccccc8c7cc56)cc43)ccc2c1
InChIInChI=1S/C40H23NS2/c1-2-9-25-20-27(18-16-24(25)8-1)41-35-14-5-3-10-29(35)30-19-17-26(21-36(30)41)28-12-7-13-32-34-22-33-31-11-4-6-15-37(31)42-38(33)23-39(34)43-40(28)32/h1-23H
InChIKeyPYCGTZGHRLNWSC-UHFFFAOYSA-N
XLogP12.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.77
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 161381988
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 162161949
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 170287242
9-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)carbazole;4-(6-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)dibenzothiophene;10-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)naphtho[1,2-b][1]benzothiole;9-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)phenyl]carbazole;2-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)phenyl]dibenzothiophene;4-[3-(6-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)phenyl]dibenzothiophene;4-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)-6-phenyldibenzothiophene;10-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)phenyl]naphtho[1,2-b][1]benzothiole;4-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10,12,14,17,19,21,23,25,27,29-pentadecaenyl)phenyl]-6-phenyldibenzothiophene
CID 159632633
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5cc7sc8ccccc8c7cc56)cc43)ccc2c1.
What is the InChIKey of 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?
The InChIKey is PYCGTZGHRLNWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NS2/c1-2-9-25-20-27(18-16-24(25)8-1)41-35-14-5-3-10-29(35)30-19-17-26(21-36(30)41)28-12-7-13-32-34-22-33-31-11-4-6-15-37(31)42-38(33)23-39(34)43-40(28)32/h1-23H.
What are the key properties of 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?
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 has a molecular weight of 581.77 g/mol, XLogP of 12.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163886851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).