9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile

C72H39N9O — CID 146654469

IUPAC9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccncc43)cccc21
InChIInChI=1S/C72H39N9O/c73-37-42-27-29-63-52(33-42)53-34-43(38-74)28-30-64(53)79(63)45-36-57-69(77-40-45)68-56(35-44(39-76-68)78-58-20-6-1-13-46(58)47-14-2-7-21-59(47)78)72(57)54-18-11-25-65(80-60-22-8-3-15-48(60)49-16-4-9-23-61(49)80)70(54)82-71-55(72)19-12-26-66(71)81-62-24-10-5-17-50(62)51-31-32-75-41-67(51)81/h1-36,39-41H
InChIKeySOJUDDYTHBXRTM-UHFFFAOYSA-N
MW1046.17 g/mol
LogP16.47
Rot. Bonds4

About 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile

9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile (PubChem CID 146654469) has the molecular formula C72H39N9O and a molecular weight of 1046.17 g/mol. Its IUPAC name is 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile
PubChem CID146654469
Molecular FormulaC72H39N9O
Molecular Weight1046.17 g/mol
Exact Mass1045.33
IUPAC Name9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccncc43)cccc21
InChIInChI=1S/C72H39N9O/c73-37-42-27-29-63-52(33-42)53-34-43(38-74)28-30-64(53)79(63)45-36-57-69(77-40-45)68-56(35-44(39-76-68)78-58-20-6-1-13-46(58)47-14-2-7-21-59(47)78)72(57)54-18-11-25-65(80-60-22-8-3-15-48(60)49-16-4-9-23-61(49)80)70(54)82-71-55(72)19-12-26-66(71)81-62-24-10-5-17-50(62)51-31-32-75-41-67(51)81/h1-36,39-41H
InChIKeySOJUDDYTHBXRTM-UHFFFAOYSA-N
XLogP16.47
TPSA115.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.17
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

9-(4'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile
CID 146655383
4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654807
9-[5-(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl]carbazole-3,6-dicarbonitrile
CID 146655895
9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile
CID 146655387
9-[5'-carbazol-9-yl-5,11-bis(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl]carbazole-3-carbonitrile
CID 146654933
9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile
CID 146655733
9-(11-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile
CID 146655314
9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile
CID 146656013
8-[5-(3-cyanocarbazol-9-yl)-11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile
CID 146655386
9-[11-(3-cyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
CID 146655395
9-[5,11-di(carbazol-9-yl)-7'-(3-carbazol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3,6-dicarbonitrile
CID 146655624
9-(1'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile
CID 146654399

Frequently Asked Questions

What is the IUPAC name of 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile (CID 146654469) is 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)cnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccncc43)cccc21.
What is the InChIKey of 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is SOJUDDYTHBXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H39N9O/c73-37-42-27-29-63-52(33-42)53-34-43(38-74)28-30-64(53)79(63)45-36-57-69(77-40-45)68-56(35-44(39-76-68)78-58-20-6-1-13-46(58)47-14-2-7-21-59(47)78)72(57)54-18-11-25-65(80-60-22-8-3-15-48(60)49-16-4-9-23-61(49)80)70(54)82-71-55(72)19-12-26-66(71)81-62-24-10-5-17-50(62)51-31-32-75-41-67(51)81/h1-36,39-41H.
What are the key properties of 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile?
9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 1046.17 g/mol, XLogP of 16.47, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4',11-di(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 146654469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).