5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole

C99H53N9O4S — CID 138527724

IUPAC5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccc(-c3cc4c5c(nc(-n6c7ccccc7c7c8sc9ccc(-c%10cc%11c%12c(nc(-n%13c%14ccccc%14c%14c%15oc%16ccccc%16c%15ccc%14%13)nc%12c%10)-c%10ccccc%10O%11)cc9c8ccc76)nc5c3)-c3ccccc3O4)cc2-c2ccc3c(c21)c1ccccc1n3-c1nc2c3c(cccc3n1)Oc1ccccc1-2
InChIInChI=1S/C99H53N9O4S/c1-99(2)66-39-34-50(44-64(66)55-36-40-73-84(90(55)99)58-19-3-10-26-70(58)106(73)96-100-67-25-17-33-80-87(67)91(103-96)61-22-7-14-30-77(61)109-80)52-46-68-88-81(48-52)110-79-32-16-9-24-63(79)93(88)105-98(102-68)108-72-28-12-5-21-60(72)86-75(108)42-38-57-65-45-51(35-43-83(65)113-95(57)86)53-47-69-89-82(49-53)111-78-31-15-8-23-62(78)92(89)104-97(101-69)107-71-27-11-4-20-59(71)85-74(107)41-37-56-54-18-6-13-29-76(54)112-94(56)85/h3-49H,1-2H3
InChIKeyUZAOMFOOWSZEND-UHFFFAOYSA-N
MW1464.64 g/mol
LogP26.03
Rot. Bonds5

About 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole

5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 138527724) has the molecular formula C99H53N9O4S and a molecular weight of 1464.64 g/mol. Its IUPAC name is 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID138527724
Molecular FormulaC99H53N9O4S
Molecular Weight1464.64 g/mol
Exact Mass1463.39
IUPAC Name5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccc(-c3cc4c5c(nc(-n6c7ccccc7c7c8sc9ccc(-c%10cc%11c%12c(nc(-n%13c%14ccccc%14c%14c%15oc%16ccccc%16c%15ccc%14%13)nc%12c%10)-c%10ccccc%10O%11)cc9c8ccc76)nc5c3)-c3ccccc3O4)cc2-c2ccc3c(c21)c1ccccc1n3-c1nc2c3c(cccc3n1)Oc1ccccc1-2
InChIInChI=1S/C99H53N9O4S/c1-99(2)66-39-34-50(44-64(66)55-36-40-73-84(90(55)99)58-19-3-10-26-70(58)106(73)96-100-67-25-17-33-80-87(67)91(103-96)61-22-7-14-30-77(61)109-80)52-46-68-88-81(48-52)110-79-32-16-9-24-63(79)93(88)105-98(102-68)108-72-28-12-5-21-60(72)86-75(108)42-38-57-65-45-51(35-43-83(65)113-95(57)86)53-47-69-89-82(49-53)111-78-31-15-8-23-62(78)92(89)104-97(101-69)107-71-27-11-4-20-59(71)85-74(107)41-37-56-54-18-6-13-29-76(54)112-94(56)85/h3-49H,1-2H3
InChIKeyUZAOMFOOWSZEND-UHFFFAOYSA-N
XLogP26.03
TPSA132.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001464.64
LogP ≤ 526.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole (CID 138527724) is 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccc(-c3cc4c5c(nc(-n6c7ccccc7c7c8sc9ccc(-c%10cc%11c%12c(nc(-n%13c%14ccccc%14c%14c%15oc%16ccccc%16c%15ccc%14%13)nc%12c%10)-c%10ccccc%10O%11)cc9c8ccc76)nc5c3)-c3ccccc3O4)cc2-c2ccc3c(c21)c1ccccc1n3-c1nc2c3c(cccc3n1)Oc1ccccc1-2.
What is the InChIKey of 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is UZAOMFOOWSZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H53N9O4S/c1-99(2)66-39-34-50(44-64(66)55-36-40-73-84(90(55)99)58-19-3-10-26-70(58)106(73)96-100-67-25-17-33-80-87(67)91(103-96)61-22-7-14-30-77(61)109-80)52-46-68-88-81(48-52)110-79-32-16-9-24-63(79)93(88)105-98(102-68)108-72-28-12-5-21-60(72)86-75(108)42-38-57-65-45-51(35-43-83(65)113-95(57)86)53-47-69-89-82(49-53)111-78-31-15-8-23-62(78)92(89)104-97(101-69)107-71-27-11-4-20-59(71)85-74(107)41-37-56-54-18-6-13-29-76(54)112-94(56)85/h3-49H,1-2H3.
What are the key properties of 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole?
5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1464.64 g/mol, XLogP of 26.03, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-[5-[11-[12,12-dimethyl-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indeno[1,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138527724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).