9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

C49H28N4Se — CID 140823043

IUPAC9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3c2c1
InChIInChI=1S/C49H28N4Se/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)39-27-46-38(28-47(39)53)35-13-5-7-15-42(35)51(46)31-10-2-1-3-11-31/h1-28H
InChIKeyFUBHOAHEWWELCB-UHFFFAOYSA-N
MW751.75 g/mol
LogP12.21
Rot. Bonds3

About 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (PubChem CID 140823043) has the molecular formula C49H28N4Se and a molecular weight of 751.75 g/mol. Its IUPAC name is 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
PubChem CID140823043
Molecular FormulaC49H28N4Se
Molecular Weight751.75 g/mol
Exact Mass752.15
IUPAC Name9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3c2c1
InChIInChI=1S/C49H28N4Se/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)39-27-46-38(28-47(39)53)35-13-5-7-15-42(35)51(46)31-10-2-1-3-11-31/h1-28H
InChIKeyFUBHOAHEWWELCB-UHFFFAOYSA-N
XLogP12.21
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.75
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[8-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140822892
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325

Frequently Asked Questions

What is the IUPAC name of 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (CID 140823043) is 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3c2c1.
What is the InChIKey of 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The InChIKey is FUBHOAHEWWELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4Se/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)39-27-46-38(28-47(39)53)35-13-5-7-15-42(35)51(46)31-10-2-1-3-11-31/h1-28H.
What are the key properties of 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile has a molecular weight of 751.75 g/mol, XLogP of 12.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 140823043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).