9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

C50H29N5 — CID 154958815

IUPAC9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)ccc1-c1ccc(-n2c3ccccc3c3cccc(C#N)c32)cc1
InChIInChI=1S/C50H29N5/c51-30-33-11-9-16-41-40-14-3-5-17-43(40)54(50(33)41)35-25-23-32(24-26-35)37-28-27-36(29-34(37)31-52)53-46-20-8-4-15-42(46)49-47(53)21-10-22-48(49)55-44-18-6-1-12-38(44)39-13-2-7-19-45(39)55/h1-29H
InChIKeyQORUGFTVAVORMP-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile

9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 154958815) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
PubChem CID154958815
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)ccc1-c1ccc(-n2c3ccccc3c3cccc(C#N)c32)cc1
InChIInChI=1S/C50H29N5/c51-30-33-11-9-16-41-40-14-3-5-17-43(40)54(50(33)41)35-25-23-32(24-26-35)37-28-27-36(29-34(37)31-52)53-46-20-8-4-15-42(46)49-47(53)21-10-22-48(49)55-44-18-6-1-12-38(44)39-13-2-7-19-45(39)55/h1-29H
InChIKeyQORUGFTVAVORMP-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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Related Compounds

9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 154958170
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 161332658
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile (CID 154958815) is 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)ccc1-c1ccc(-n2c3ccccc3c3cccc(C#N)c32)cc1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
The InChIKey is QORUGFTVAVORMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-11-9-16-41-40-14-3-5-17-43(40)54(50(33)41)35-25-23-32(24-26-35)37-28-27-36(29-34(37)31-52)53-46-20-8-4-15-42(46)49-47(53)21-10-22-48(49)55-44-18-6-1-12-38(44)39-13-2-7-19-45(39)55/h1-29H.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile?
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile 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 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 154958815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).