9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole

C99H69N3S3 — CID 157181487

IUPAC9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc2sc3ccccc3c2c1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/3C33H23NS/c1-33(2)25-12-6-3-10-22(25)31-26(33)16-17-28-32(31)23-11-4-7-13-27(23)34(28)20-15-18-30-24(19-20)21-9-5-8-14-29(21)35-30;1-33(2)26-12-6-3-11-24(26)31-27(33)17-16-23-21-9-4-7-13-28(21)34(32(23)31)20-15-18-30-25(19-20)22-10-5-8-14-29(22)35-30;1-33(2)26-12-6-3-9-21(26)23-16-17-28-31(32(23)33)24-11-4-7-13-27(24)34(28)20-15-18-30-25(19-20)22-10-5-8-14-29(22)35-30/h3*3-19H,1-2H3
InChIKeyAOPSBFLWEMXIJH-UHFFFAOYSA-N
MW1396.86 g/mol
LogP28.37
Rot. Bonds3

About 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole

9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 157181487) has the molecular formula C99H69N3S3 and a molecular weight of 1396.86 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID157181487
Molecular FormulaC99H69N3S3
Molecular Weight1396.86 g/mol
Exact Mass1395.47
IUPAC Name9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc2sc3ccccc3c2c1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/3C33H23NS/c1-33(2)25-12-6-3-10-22(25)31-26(33)16-17-28-32(31)23-11-4-7-13-27(23)34(28)20-15-18-30-24(19-20)21-9-5-8-14-29(21)35-30;1-33(2)26-12-6-3-11-24(26)31-27(33)17-16-23-21-9-4-7-13-28(21)34(32(23)31)20-15-18-30-25(19-20)22-10-5-8-14-29(22)35-30;1-33(2)26-12-6-3-9-21(26)23-16-17-28-31(32(23)33)24-11-4-7-13-27(24)34(28)20-15-18-30-25(19-20)22-10-5-8-14-29(22)35-30/h3*3-19H,1-2H3
InChIKeyAOPSBFLWEMXIJH-UHFFFAOYSA-N
XLogP28.37
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001396.86
LogP ≤ 528.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole with MolForge

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Related Compounds

9-dibenzothiophen-4-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-3-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzothiophen-4-yl-12,12-dimethylindeno[1,2-c]carbazole;14,14-dimethyl-9-(9-phenylcarbazol-3-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;7,7-dimethyl-12-(9-phenylcarbazol-3-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-c]carbazole
CID 158235049
9-dibenzofuran-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzofuran-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzofuran-2-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzofuran-2-yl-12,12-dimethylindeno[1,2-c]carbazole
CID 159024447
9-(3-carbazol-9-ylphenyl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-carbazol-9-ylphenyl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(3-carbazol-9-ylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4-carbazol-9-ylphenyl)-10,10-dimethylindeno[1,2-b]indole;5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 161134121
5-dibenzofuran-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzofuran-4-yl-12,12-dimethylindeno[1,2-c]carbazole;9-dibenzothiophen-4-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-3-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-3-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzothiophen-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzothiophen-4-yl-12,12-dimethylindeno[1,2-c]carbazole;7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 159748150
14,14-dimethyl-9-naphthalen-1-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;7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazole;14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-phenylindeno[1,2-a]carbazole;7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 161042554
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130231202
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 159745382
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
14,14-dimethyl-9-(1,3,5-triazin-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;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole
CID 160620108
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole (CID 157181487) is 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc2sc3ccccc3c2c1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is AOPSBFLWEMXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C33H23NS/c1-33(2)25-12-6-3-10-22(25)31-26(33)16-17-28-32(31)23-11-4-7-13-27(23)34(28)20-15-18-30-24(19-20)21-9-5-8-14-29(21)35-30;1-33(2)26-12-6-3-11-24(26)31-27(33)17-16-23-21-9-4-7-13-28(21)34(32(23)31)20-15-18-30-25(19-20)22-10-5-8-14-29(22)35-30;1-33(2)26-12-6-3-9-21(26)23-16-17-28-31(32(23)33)24-11-4-7-13-27(24)34(28)20-15-18-30-25(19-20)22-10-5-8-14-29(22)35-30/h3*3-19H,1-2H3.
What are the key properties of 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole?
9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 1396.86 g/mol, XLogP of 28.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 157181487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).