7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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

C66H44N2OS — CID 155257230

IUPAC7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2cccc(CC3(C)c4ccccc4-c4c3ccc3c4c4ccccc4n3-c3cccc4c3oc3ccccc34)c2n1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C66H44N2OS/c1-65(2)48-24-9-4-19-43(48)59-50(65)31-33-53-62(59)46-23-14-16-38(63(46)67(53)39-30-35-58-47(36-39)41-18-8-13-29-57(41)70-58)37-66(3)49-25-10-5-20-44(49)60-51(66)32-34-54-61(60)45-21-6-11-26-52(45)68(54)55-27-15-22-42-40-17-7-12-28-56(40)69-64(42)55/h4-36H,37H2,1-3H3
InChIKeyTYIRLZWTYFVVGW-UHFFFAOYSA-N
MW913.16 g/mol
LogP17.98
Rot. Bonds4

About 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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

7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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 (PubChem CID 155257230) has the molecular formula C66H44N2OS and a molecular weight of 913.16 g/mol. Its IUPAC name is 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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.

Molecular Properties

Compound Name7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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
PubChem CID155257230
Molecular FormulaC66H44N2OS
Molecular Weight913.16 g/mol
Exact Mass912.32
IUPAC Name7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2cccc(CC3(C)c4ccccc4-c4c3ccc3c4c4ccccc4n3-c3cccc4c3oc3ccccc34)c2n1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C66H44N2OS/c1-65(2)48-24-9-4-19-43(48)59-50(65)31-33-53-62(59)46-23-14-16-38(63(46)67(53)39-30-35-58-47(36-39)41-18-8-13-29-57(41)70-58)37-66(3)49-25-10-5-20-44(49)60-51(66)32-34-54-61(60)45-21-6-11-26-52(45)68(54)55-27-15-22-42-40-17-7-12-28-56(40)69-64(42)55/h4-36H,37H2,1-3H3
InChIKeyTYIRLZWTYFVVGW-UHFFFAOYSA-N
XLogP17.98
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.16
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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 with MolForge

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Related Compounds

9-dibenzothiophen-2-yl-21,21-dimethyl-18-oxa-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634732
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
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
21-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9-dimethyl-21-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9-dimethyl-21-phenyl-25-(9-phenylcarbazol-3-yl)-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 159639946
9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole
CID 159433866
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
9-[8-([1]benzofuro[2,3-a]carbazol-12-yl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[8-([1]benzothiolo[3,2-a]carbazol-12-yl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[7-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile;9-[7-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 162123031
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-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
CID 90321576
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole;9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzofuran-4-yl-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole;9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzothiophen-2-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 157170070
13-dibenzothiophen-2-yl-21,21-dimethyl-13-azaheptacyclo[14.11.1.02,14.03,12.06,11.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene
CID 134510113

Frequently Asked Questions

What is the IUPAC name of 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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?
The IUPAC name of 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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 (CID 155257230) is 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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.
What is the SMILES notation for 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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?
The canonical SMILES for 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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 is CC1(C)c2ccccc2-c2c1ccc1c2c2cccc(CC3(C)c4ccccc4-c4c3ccc3c4c4ccccc4n3-c3cccc4c3oc3ccccc34)c2n1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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?
The InChIKey is TYIRLZWTYFVVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2OS/c1-65(2)48-24-9-4-19-43(48)59-50(65)31-33-53-62(59)46-23-14-16-38(63(46)67(53)39-30-35-58-47(36-39)41-18-8-13-29-57(41)70-58)37-66(3)49-25-10-5-20-44(49)60-51(66)32-34-54-61(60)45-21-6-11-26-52(45)68(54)55-27-15-22-42-40-17-7-12-28-56(40)69-64(42)55/h4-36H,37H2,1-3H3.
What are the key properties of 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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?
7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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 has a molecular weight of 913.16 g/mol, XLogP of 17.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(9-dibenzofuran-4-yl-14-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)methyl]-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 is sourced from PubChem (CID 155257230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).