5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

C128H82N8S2 — CID 147155997

IUPAC5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)C(c2ccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)cc2)=CC=C1c1ccc(-n2c3ccccc3c3c4sc5cc(-c6ccc(-n7c8ccccc8c8c7c7ccccc7c7c9ccccc9n(-c9ccc(C%10=CC=C(c%11ccc(-n%12c%13ccccc%13c%13c%14ccccc%14c%14c(c%15ccccc%15n%14-c%14ccccc%14)c%13%12)nc%11)C%10(C)C)nc9)c78)cc6)ccc5c4ccc32)cc1
InChIInChI=1S/C128H82N8S2/c1-127(2)99(76-48-56-81(57-49-76)131-104-39-19-14-35-95(104)117-110(131)69-62-91-85-28-18-25-45-112(85)137-125(91)117)64-65-100(127)77-50-58-82(59-51-77)132-105-40-20-15-36-96(105)118-111(132)70-63-92-86-61-52-78(72-113(86)138-126(92)118)75-46-54-83(55-47-75)134-108-43-23-16-37-97(108)119-121(134)89-31-10-8-29-87(89)115-93-33-12-21-41-106(93)135(123(115)119)84-60-68-103(129-74-84)102-67-66-101(128(102,3)4)79-53-71-114(130-73-79)136-109-44-24-13-34-94(109)116-88-30-9-11-32-90(88)122-120(124(116)136)98-38-17-22-42-107(98)133(122)80-26-6-5-7-27-80/h5-74H,1-4H3
InChIKeyBUXJEUANJIITMC-UHFFFAOYSA-N
MW1796.25 g/mol
LogP34.78
Rot. Bonds11

About 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 147155997) has the molecular formula C128H82N8S2 and a molecular weight of 1796.25 g/mol. Its IUPAC name is 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID147155997
Molecular FormulaC128H82N8S2
Molecular Weight1796.25 g/mol
Exact Mass1794.61
IUPAC Name5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)C(c2ccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)cc2)=CC=C1c1ccc(-n2c3ccccc3c3c4sc5cc(-c6ccc(-n7c8ccccc8c8c7c7ccccc7c7c9ccccc9n(-c9ccc(C%10=CC=C(c%11ccc(-n%12c%13ccccc%13c%13c%14ccccc%14c%14c(c%15ccccc%15n%14-c%14ccccc%14)c%13%12)nc%11)C%10(C)C)nc9)c78)cc6)ccc5c4ccc32)cc1
InChIInChI=1S/C128H82N8S2/c1-127(2)99(76-48-56-81(57-49-76)131-104-39-19-14-35-95(104)117-110(131)69-62-91-85-28-18-25-45-112(85)137-125(91)117)64-65-100(127)77-50-58-82(59-51-77)132-105-40-20-15-36-96(105)118-111(132)70-63-92-86-61-52-78(72-113(86)138-126(92)118)75-46-54-83(55-47-75)134-108-43-23-16-37-97(108)119-121(134)89-31-10-8-29-87(89)115-93-33-12-21-41-106(93)135(123(115)119)84-60-68-103(129-74-84)102-67-66-101(128(102,3)4)79-53-71-114(130-73-79)136-109-44-24-13-34-94(109)116-88-30-9-11-32-90(88)122-120(124(116)136)98-38-17-22-42-107(98)133(122)80-26-6-5-7-27-80/h5-74H,1-4H3
InChIKeyBUXJEUANJIITMC-UHFFFAOYSA-N
XLogP34.78
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001796.25
LogP ≤ 534.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[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-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 147155997) is 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is CC1(C)C(c2ccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)cc2)=CC=C1c1ccc(-n2c3ccccc3c3c4sc5cc(-c6ccc(-n7c8ccccc8c8c7c7ccccc7c7c9ccccc9n(-c9ccc(C%10=CC=C(c%11ccc(-n%12c%13ccccc%13c%13c%14ccccc%14c%14c(c%15ccccc%15n%14-c%14ccccc%14)c%13%12)nc%11)C%10(C)C)nc9)c78)cc6)ccc5c4ccc32)cc1.
What is the InChIKey of 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is BUXJEUANJIITMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H82N8S2/c1-127(2)99(76-48-56-81(57-49-76)131-104-39-19-14-35-95(104)117-110(131)69-62-91-85-28-18-25-45-112(85)137-125(91)117)64-65-100(127)77-50-58-82(59-51-77)132-105-40-20-15-36-96(105)118-111(132)70-63-92-86-61-52-78(72-113(86)138-126(92)118)75-46-54-83(55-47-75)134-108-43-23-16-37-97(108)119-121(134)89-31-10-8-29-87(89)115-93-33-12-21-41-106(93)135(123(115)119)84-60-68-103(129-74-84)102-67-66-101(128(102,3)4)79-53-71-114(130-73-79)136-109-44-24-13-34-94(109)116-88-30-9-11-32-90(88)122-120(124(116)136)98-38-17-22-42-107(98)133(122)80-26-6-5-7-27-80/h5-74H,1-4H3.
What are the key properties of 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1796.25 g/mol, XLogP of 34.78, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5,5-dimethylcyclopenta-1,3-dien-1-yl]phenyl]-10-[4-[24-[6-[5,5-dimethyl-4-[6-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-3-pyridinyl]cyclopenta-1,3-dien-1-yl]-3-pyridinyl]-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 147155997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).