9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

C181H103N13OSSe4 — CID 157485397

IUPAC9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5[se]c6ccc(-n7c8ccccc8c8cc(C#N)ccc87)cc6c5c4)c3cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c2c1
InChIInChI=1S/C49H28N4Se.C46H29N3Se.C43H23N3OSe.C43H23N3SSe/c50-29-30-18-21-45-37(24-30)34-12-4-8-16-43(34)52(45)32-19-22-48-40(25-32)41-26-33(20-23-49(41)54-48)53-44-17-9-6-14-36(44)39-27-38-35-13-5-7-15-42(35)51(46(38)28-47(39)53)31-10-2-1-3-11-31;1-46(2)38-12-6-3-9-30(38)33-24-35-32-11-5-8-14-41(32)49(43(35)25-39(33)46)29-17-20-45-37(23-29)36-22-28(16-19-44(36)50-45)48-40-13-7-4-10-31(40)34-21-27(26-47)15-18-42(34)48;1-44-25-14-18-37-32(22-25)28-8-2-5-11-35(28)45(37)26-15-20-40-33(23-26)34-24-27(16-21-41(34)48-40)46-36-12-6-3-10-31(36)42-38(46)19-17-30-29-9-4-7-13-39(29)47-43(30)42;44-24-25-13-17-37-32(21-25)28-7-1-4-10-35(28)45(37)26-14-19-40-33(22-26)34-23-27(15-20-41(34)48-40)46-36-11-5-2-9-31(36)42-38(46)18-16-30-29-8-3-6-12-39(29)47-43(30)42/h1-28H;3-25H,1-2H3;2-24H;1-23H
InChIKeyBWQPQHPBSUYOLW-UHFFFAOYSA-N
MW2823.81 g/mol
LogP46.81
Rot. Bonds9

About 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (PubChem CID 157485397) has the molecular formula C181H103N13OSSe4 and a molecular weight of 2823.81 g/mol. Its IUPAC name is 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
PubChem CID157485397
Molecular FormulaC181H103N13OSSe4
Molecular Weight2823.81 g/mol
Exact Mass2825.48
IUPAC Name9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5[se]c6ccc(-n7c8ccccc8c8cc(C#N)ccc87)cc6c5c4)c3cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c2c1
InChIInChI=1S/C49H28N4Se.C46H29N3Se.C43H23N3OSe.C43H23N3SSe/c50-29-30-18-21-45-37(24-30)34-12-4-8-16-43(34)52(45)32-19-22-48-40(25-32)41-26-33(20-23-49(41)54-48)53-44-17-9-6-14-36(44)39-27-38-35-13-5-7-15-42(35)51(46(38)28-47(39)53)31-10-2-1-3-11-31;1-46(2)38-12-6-3-9-30(38)33-24-35-32-11-5-8-14-41(32)49(43(35)25-39(33)46)29-17-20-45-37(23-29)36-22-28(16-19-44(36)50-45)48-40-13-7-4-10-31(40)34-21-27(26-47)15-18-42(34)48;1-44-25-14-18-37-32(22-25)28-8-2-5-11-35(28)45(37)26-15-20-40-33(23-26)34-24-27(16-21-41(34)48-40)46-36-12-6-3-10-31(36)42-38(46)19-17-30-29-9-4-7-13-39(29)47-43(30)42;44-24-25-13-17-37-32(21-25)28-7-1-4-10-35(28)45(37)26-14-19-40-33(22-26)34-23-27(15-20-41(34)48-40)46-36-11-5-2-9-31(36)42-38(46)18-16-30-29-8-3-6-12-39(29)47-43(30)42/h1-28H;3-25H,1-2H3;2-24H;1-23H
InChIKeyBWQPQHPBSUYOLW-UHFFFAOYSA-N
XLogP46.81
TPSA133.24 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002823.81
LogP ≤ 546.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (CID 157485397) is 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5[se]c6ccc(-n7c8ccccc8c8cc(C#N)ccc87)cc6c5c4)c3cc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3c2c1.
What is the InChIKey of 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The InChIKey is BWQPQHPBSUYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4Se.C46H29N3Se.C43H23N3OSe.C43H23N3SSe/c50-29-30-18-21-45-37(24-30)34-12-4-8-16-43(34)52(45)32-19-22-48-40(25-32)41-26-33(20-23-49(41)54-48)53-44-17-9-6-14-36(44)39-27-38-35-13-5-7-15-42(35)51(46(38)28-47(39)53)31-10-2-1-3-11-31;1-46(2)38-12-6-3-9-30(38)33-24-35-32-11-5-8-14-41(32)49(43(35)25-39(33)46)29-17-20-45-37(23-29)36-22-28(16-19-44(36)50-45)48-40-13-7-4-10-31(40)34-21-27(26-47)15-18-42(34)48;1-44-25-14-18-37-32(22-25)28-8-2-5-11-35(28)45(37)26-15-20-40-33(23-26)34-24-27(16-21-41(34)48-40)46-36-12-6-3-10-31(36)42-38(46)19-17-30-29-9-4-7-13-39(29)47-43(30)42;44-24-25-13-17-37-32(21-25)28-7-1-4-10-35(28)45(37)26-14-19-40-33(22-26)34-23-27(15-20-41(34)48-40)46-36-11-5-2-9-31(36)42-38(46)18-16-30-29-8-3-6-12-39(29)47-43(30)42/h1-28H;3-25H,1-2H3;2-24H;1-23H.
What are the key properties of 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile has a molecular weight of 2823.81 g/mol, XLogP of 46.81, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-([1]benzothiolo[3,2-c]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;5-[8-(3-isocyanocarbazol-9-yl)dibenzoselenophen-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 157485397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).