N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine

C70H43N5OS — CID 91062290

IUPACN-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine
SMILESc1ccc(-c2ccc3oc4ncc(-n5c6ccc(-c7cccc(N(c8ccccc8)c8cncc9c8sc8ccc(-c%10ccccc%10)cc89)c7)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C70H43N5OS/c1-4-15-44(16-5-1)47-28-33-67-58(37-47)60-40-53(41-72-70(60)76-67)75-64-31-27-49(36-56(64)57-39-52(30-32-65(57)75)74-62-25-12-10-23-54(62)55-24-11-13-26-63(55)74)46-19-14-22-51(35-46)73(50-20-8-3-9-21-50)66-43-71-42-61-59-38-48(45-17-6-2-7-18-45)29-34-68(59)77-69(61)66/h1-43H
InChIKeyVVDXWAKGJXJFLM-UHFFFAOYSA-N
MW1002.22 g/mol
LogP19.41
Rot. Bonds8

About N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine

N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine (PubChem CID 91062290) has the molecular formula C70H43N5OS and a molecular weight of 1002.22 g/mol. Its IUPAC name is N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine
PubChem CID91062290
Molecular FormulaC70H43N5OS
Molecular Weight1002.22 g/mol
Exact Mass1001.32
IUPAC NameN-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine
SMILESc1ccc(-c2ccc3oc4ncc(-n5c6ccc(-c7cccc(N(c8ccccc8)c8cncc9c8sc8ccc(-c%10ccccc%10)cc89)c7)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C70H43N5OS/c1-4-15-44(16-5-1)47-28-33-67-58(37-47)60-40-53(41-72-70(60)76-67)75-64-31-27-49(36-56(64)57-39-52(30-32-65(57)75)74-62-25-12-10-23-54(62)55-24-11-13-26-63(55)74)46-19-14-22-51(35-46)73(50-20-8-3-9-21-50)66-43-71-42-61-59-38-48(45-17-6-2-7-18-45)29-34-68(59)77-69(61)66/h1-43H
InChIKeyVVDXWAKGJXJFLM-UHFFFAOYSA-N
XLogP19.41
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.22
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine with MolForge

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Related Compounds

N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
[8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 157482738
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
9-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544048
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-[8-[3-(3-Carbazol-9-ylphenyl)phenyl]dibenzofuran-2-yl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544078
9-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 57544108
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
9-[8-(8-Carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
CID 57653807
3-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 57703088

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine (CID 91062290) is N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine is c1ccc(-c2ccc3oc4ncc(-n5c6ccc(-c7cccc(N(c8ccccc8)c8cncc9c8sc8ccc(-c%10ccccc%10)cc89)c7)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.
What is the InChIKey of N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine?
The InChIKey is VVDXWAKGJXJFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5OS/c1-4-15-44(16-5-1)47-28-33-67-58(37-47)60-40-53(41-72-70(60)76-67)75-64-31-27-49(36-56(64)57-39-52(30-32-65(57)75)74-62-25-12-10-23-54(62)55-24-11-13-26-63(55)74)46-19-14-22-51(35-46)73(50-20-8-3-9-21-50)66-43-71-42-61-59-38-48(45-17-6-2-7-18-45)29-34-68(59)77-69(61)66/h1-43H.
What are the key properties of N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine?
N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine has a molecular weight of 1002.22 g/mol, XLogP of 19.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 91062290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).