9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile

C50H28FN5 — CID 147714772

IUPAC9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(F)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C50H28FN5/c51-35-24-34(33-21-32(30-53)22-37(25-33)55-47-15-7-3-11-41(47)43-23-31(29-52)17-19-49(43)55)26-38(27-35)56-48-16-8-4-12-42(48)44-28-36(18-20-50(44)56)54-45-13-5-1-9-39(45)40-10-2-6-14-46(40)54/h1-28H
InChIKeyGVKIRTBKYXXZAI-UHFFFAOYSA-N
MW717.81 g/mol
LogP12.53
Rot. Bonds4

About 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile

9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 147714772) has the molecular formula C50H28FN5 and a molecular weight of 717.81 g/mol. Its IUPAC name is 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
PubChem CID147714772
Molecular FormulaC50H28FN5
Molecular Weight717.81 g/mol
Exact Mass717.23
IUPAC Name9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(F)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C50H28FN5/c51-35-24-34(33-21-32(30-53)22-37(25-33)55-47-15-7-3-11-41(47)43-23-31(29-52)17-19-49(43)55)26-38(27-35)56-48-16-8-4-12-42(48)44-28-36(18-20-50(44)56)54-45-13-5-1-9-39(45)40-10-2-6-14-46(40)54/h1-28H
InChIKeyGVKIRTBKYXXZAI-UHFFFAOYSA-N
XLogP12.53
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.81
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[3-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile (CID 147714772) is 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2cc(F)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is GVKIRTBKYXXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28FN5/c51-35-24-34(33-21-32(30-53)22-37(25-33)55-47-15-7-3-11-41(47)43-23-31(29-52)17-19-49(43)55)26-38(27-35)56-48-16-8-4-12-42(48)44-28-36(18-20-50(44)56)54-45-13-5-1-9-39(45)40-10-2-6-14-46(40)54/h1-28H.
What are the key properties of 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile has a molecular weight of 717.81 g/mol, XLogP of 12.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 147714772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).