14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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

C50H35NS — CID 144741005

IUPAC14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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
SMILESCC1C=C2C(=CC1)c1cccc3c(-c4ccc5sc6ccc(-n7c8ccccc8c8c9c(ccc87)C(C)(C)c7ccccc7-9)cc6c5c4)ccc2c13
InChIInChI=1S/C50H35NS/c1-28-15-18-32-34-12-8-11-33-31(19-20-35(47(33)34)38(32)25-28)29-16-23-45-39(26-29)40-27-30(17-24-46(40)52-45)51-43-14-7-5-10-37(43)49-44(51)22-21-42-48(49)36-9-4-6-13-41(36)50(42,2)3/h4-14,16-28H,15H2,1-3H3
InChIKeyRRRQBSXJRRMZHR-UHFFFAOYSA-N
MW681.90 g/mol
LogP14.10
Rot. Bonds2

About 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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

14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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 (PubChem CID 144741005) has the molecular formula C50H35NS and a molecular weight of 681.90 g/mol. Its IUPAC name is 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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.

Molecular Properties

Compound Name14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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
PubChem CID144741005
Molecular FormulaC50H35NS
Molecular Weight681.90 g/mol
Exact Mass681.25
IUPAC Name14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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
SMILESCC1C=C2C(=CC1)c1cccc3c(-c4ccc5sc6ccc(-n7c8ccccc8c8c9c(ccc87)C(C)(C)c7ccccc7-9)cc6c5c4)ccc2c13
InChIInChI=1S/C50H35NS/c1-28-15-18-32-34-12-8-11-33-31(19-20-35(47(33)34)38(32)25-28)29-16-23-45-39(26-29)40-27-30(17-24-46(40)52-45)51-43-14-7-5-10-37(43)49-44(51)22-21-42-48(49)36-9-4-6-13-41(36)50(42,2)3/h4-14,16-28H,15H2,1-3H3
InChIKeyRRRQBSXJRRMZHR-UHFFFAOYSA-N
XLogP14.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.90
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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 with MolForge

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Related Compounds

14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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;1,3-dimethyl-2-prop-1-en-2-ylbenzene;ethane
CID 144741004
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
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
9-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 118580958
9-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580852
9-[4-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 163983384
3-dibenzothiophen-2-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099245
11-dibenzothiophen-2-yl-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
CID 145370428
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
14,14-dimethyl-9-(10-tetraphenylen-2-ylanthracen-9-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
CID 138553431
4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole
CID 118262649
3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099247

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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?
The IUPAC name of 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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 (CID 144741005) is 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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.
What is the SMILES notation for 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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?
The canonical SMILES for 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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 is CC1C=C2C(=CC1)c1cccc3c(-c4ccc5sc6ccc(-n7c8ccccc8c8c9c(ccc87)C(C)(C)c7ccccc7-9)cc6c5c4)ccc2c13.
What is the InChIKey of 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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?
The InChIKey is RRRQBSXJRRMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NS/c1-28-15-18-32-34-12-8-11-33-31(19-20-35(47(33)34)38(32)25-28)29-16-23-45-39(26-29)40-27-30(17-24-46(40)52-45)51-43-14-7-5-10-37(43)49-44(51)22-21-42-48(49)36-9-4-6-13-41(36)50(42,2)3/h4-14,16-28H,15H2,1-3H3.
What are the key properties of 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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?
14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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 has a molecular weight of 681.90 g/mol, XLogP of 14.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-9-[8-(9-methyl-8,9-dihydrofluoranthen-3-yl)dibenzothiophen-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 is sourced from PubChem (CID 144741005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).