2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile

C50H29N5 — CID 129300197

IUPAC2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H29N5/c51-30-32-14-12-22-38(49(32)54-42-23-8-4-17-35(42)36-18-5-9-24-43(36)54)34-21-13-27-46(41(34)31-52)55-44-25-10-6-19-37(44)39-28-29-47-48(50(39)55)40-20-7-11-26-45(40)53(47)33-15-2-1-3-16-33/h1-29H
InChIKeyYKVLYGCTQBAYTF-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile

2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile (PubChem CID 129300197) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
PubChem CID129300197
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H29N5/c51-30-32-14-12-22-38(49(32)54-42-23-8-4-17-35(42)36-18-5-9-24-43(36)54)34-21-13-27-46(41(34)31-52)55-44-25-10-6-19-37(44)39-28-29-47-48(50(39)55)40-20-7-11-26-45(40)53(47)33-15-2-1-3-16-33/h1-29H
InChIKeyYKVLYGCTQBAYTF-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile (CID 129300197) is 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
The InChIKey is YKVLYGCTQBAYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-14-12-22-38(49(32)54-42-23-8-4-17-35(42)36-18-5-9-24-43(36)54)34-21-13-27-46(41(34)31-52)55-44-25-10-6-19-37(44)39-28-29-47-48(50(39)55)40-20-7-11-26-45(40)53(47)33-15-2-1-3-16-33/h1-29H.
What are the key properties of 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile?
2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[2-cyano-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile is sourced from PubChem (CID 129300197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).