2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile

C69H43N7 — CID 166856371

IUPAC2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESC=Cc1c(/C=C\C)n(-c2c(C#N)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(C#N)c2-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C69H43N7/c1-3-22-55-44(4-2)45-25-8-16-33-57(45)73(55)66-53(41-70)68(75-60-36-19-11-28-48(60)49-29-12-20-37-61(49)75)69(54(42-71)67(66)74-58-34-17-9-26-46(58)47-27-10-18-35-59(47)74)76-62-38-21-14-31-52(62)64-63(76)40-39-51-50-30-13-15-32-56(50)72(65(51)64)43-23-6-5-7-24-43/h3-40H,2H2,1H3/b22-3-
InChIKeyQIHHCAGJKYYMKC-XQFZAKLLSA-N
MW970.15 g/mol
LogP17.44
Rot. Bonds7

About 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile

2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile (PubChem CID 166856371) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
PubChem CID166856371
Molecular FormulaC69H43N7
Molecular Weight970.15 g/mol
Exact Mass969.36
IUPAC Name2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESC=Cc1c(/C=C\C)n(-c2c(C#N)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(C#N)c2-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C69H43N7/c1-3-22-55-44(4-2)45-25-8-16-33-57(45)73(55)66-53(41-70)68(75-60-36-19-11-28-48(60)49-29-12-20-37-61(49)75)69(54(42-71)67(66)74-58-34-17-9-26-46(58)47-27-10-18-35-59(47)74)76-62-38-21-14-31-52(62)64-63(76)40-39-51-50-30-13-15-32-56(50)72(65(51)64)43-23-6-5-7-24-43/h3-40H,2H2,1H3/b22-3-
InChIKeyQIHHCAGJKYYMKC-XQFZAKLLSA-N
XLogP17.44
TPSA72.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-tri(carbazol-9-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 131993006
2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
21-ethenyl-4,22-diphenyl-20-[(Z)-prop-1-enyl]-4,15,22-triazaoctacyclo[13.13.1.02,14.03,11.05,10.016,24.019,23.025,29]nonacosa-1(29),2(14),3(11),5,7,9,12,16(24),17,19(23),20,25,27-tridecaene
CID 166881227
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166855916
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
2,3,4-tri(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131709
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163573400
5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole
CID 129209372
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744

Frequently Asked Questions

What is the IUPAC name of 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile (CID 166856371) is 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile is C=Cc1c(/C=C\C)n(-c2c(C#N)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(C#N)c2-n2c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The InChIKey is QIHHCAGJKYYMKC-XQFZAKLLSA-N. The full InChI is InChI=1S/C69H43N7/c1-3-22-55-44(4-2)45-25-8-16-33-57(45)73(55)66-53(41-70)68(75-60-36-19-11-28-48(60)49-29-12-20-37-61(49)75)69(54(42-71)67(66)74-58-34-17-9-26-46(58)47-27-10-18-35-59(47)74)76-62-38-21-14-31-52(62)64-63(76)40-39-51-50-30-13-15-32-56(50)72(65(51)64)43-23-6-5-7-24-43/h3-40H,2H2,1H3/b22-3-.
What are the key properties of 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile?
2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile has a molecular weight of 970.15 g/mol, XLogP of 17.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 166856371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).