2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile

C29H17ClN4 — CID 162767490

IUPAC2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc1-c1ccccc1
InChIInChI=1S/C29H17ClN4/c30-28-24(18-31)27(19-9-2-1-3-10-19)32-29(33-28)20-11-8-12-21(17-20)34-25-15-6-4-13-22(25)23-14-5-7-16-26(23)34/h1-17H
InChIKeyMANPILUYPWTPMZ-UHFFFAOYSA-N
MW456.94 g/mol
LogP7.43
Rot. Bonds3

About 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile

2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile (PubChem CID 162767490) has the molecular formula C29H17ClN4 and a molecular weight of 456.94 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile
PubChem CID162767490
Molecular FormulaC29H17ClN4
Molecular Weight456.94 g/mol
Exact Mass456.11
IUPAC Name2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc1-c1ccccc1
InChIInChI=1S/C29H17ClN4/c30-28-24(18-31)27(19-9-2-1-3-10-19)32-29(33-28)20-11-8-12-21(17-20)34-25-15-6-4-13-22(25)23-14-5-7-16-26(23)34/h1-17H
InChIKeyMANPILUYPWTPMZ-UHFFFAOYSA-N
XLogP7.43
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.94
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163668762
2-(11,12-diphenylindolo[2,3-a]carbazol-2-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163602679
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163540972
4,6-diphenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidine-5-carbonitrile
CID 163478634
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
4-[3-cyano-4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-2,6-diphenylpyrimidine-5-carbonitrile
CID 163596205
2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163625687
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile (CID 162767490) is 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)nc1-c1ccccc1.
What is the InChIKey of 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is MANPILUYPWTPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17ClN4/c30-28-24(18-31)27(19-9-2-1-3-10-19)32-29(33-28)20-11-8-12-21(17-20)34-25-15-6-4-13-22(25)23-14-5-7-16-26(23)34/h1-17H.
What are the key properties of 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile?
2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 456.94 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 162767490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).