2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile

C147H88N12O3 — CID 163963951

IUPAC2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)nc1-c1ccccc1
InChIInChI=1S/C53H32N4O.2C47H28N4O/c54-33-44-49(36-21-9-3-10-22-36)55-53(56-50(44)37-23-11-4-12-24-37)38-31-42(34-17-5-1-6-18-34)51(43(32-38)35-19-7-2-8-20-35)57-45-27-15-13-25-39(45)40-29-30-47-48(52(40)57)41-26-14-16-28-46(41)58-47;48-29-38-44(31-16-6-2-7-17-31)49-47(50-45(38)32-18-8-3-9-19-32)37-28-33(30-14-4-1-5-15-30)24-26-40(37)51-39-22-12-10-20-34(39)35-25-27-42-43(46(35)51)36-21-11-13-23-41(36)52-42;48-29-39-44(31-16-6-2-7-17-31)49-47(50-45(39)32-18-8-3-9-19-32)34-26-33(30-14-4-1-5-15-30)27-35(28-34)51-40-22-12-10-20-36(40)37-24-25-42-43(46(37)51)38-21-11-13-23-41(38)52-42/h1-32H;2*1-28H
InChIKeySJZLPNGDDRYYKK-UHFFFAOYSA-N
MW2070.40 g/mol
LogP37.71
Rot. Bonds16

About 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile

2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 163963951) has the molecular formula C147H88N12O3 and a molecular weight of 2070.40 g/mol. Its IUPAC name is 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID163963951
Molecular FormulaC147H88N12O3
Molecular Weight2070.40 g/mol
Exact Mass2068.71
IUPAC Name2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)nc1-c1ccccc1
InChIInChI=1S/C53H32N4O.2C47H28N4O/c54-33-44-49(36-21-9-3-10-22-36)55-53(56-50(44)37-23-11-4-12-24-37)38-31-42(34-17-5-1-6-18-34)51(43(32-38)35-19-7-2-8-20-35)57-45-27-15-13-25-39(45)40-29-30-47-48(52(40)57)41-26-14-16-28-46(41)58-47;48-29-38-44(31-16-6-2-7-17-31)49-47(50-45(38)32-18-8-3-9-19-32)37-28-33(30-14-4-1-5-15-30)24-26-40(37)51-39-22-12-10-20-34(39)35-25-27-42-43(46(35)51)36-21-11-13-23-41(36)52-42;48-29-39-44(31-16-6-2-7-17-31)49-47(50-45(39)32-18-8-3-9-19-32)34-26-33(30-14-4-1-5-15-30)27-35(28-34)51-40-22-12-10-20-36(40)37-24-25-42-43(46(37)51)38-21-11-13-23-41(38)52-42/h1-32H;2*1-28H
InChIKeySJZLPNGDDRYYKK-UHFFFAOYSA-N
XLogP37.71
TPSA202.92 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.40
LogP ≤ 537.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163970848
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 146280449
12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 139303243
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163636358
2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163540972
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 129225725
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
2-(11,12-diphenylindolo[2,3-a]carbazol-2-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163602679
2,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167208960

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile (CID 163963951) is 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)nc1-c1ccccc1.
What is the InChIKey of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is SJZLPNGDDRYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.2C47H28N4O/c54-33-44-49(36-21-9-3-10-22-36)55-53(56-50(44)37-23-11-4-12-24-37)38-31-42(34-17-5-1-6-18-34)51(43(32-38)35-19-7-2-8-20-35)57-45-27-15-13-25-39(45)40-29-30-47-48(52(40)57)41-26-14-16-28-46(41)58-47;48-29-38-44(31-16-6-2-7-17-31)49-47(50-45(38)32-18-8-3-9-19-32)37-28-33(30-14-4-1-5-15-30)24-26-40(37)51-39-22-12-10-20-34(39)35-25-27-42-43(46(35)51)36-21-11-13-23-41(36)52-42;48-29-39-44(31-16-6-2-7-17-31)49-47(50-45(39)32-18-8-3-9-19-32)34-26-33(30-14-4-1-5-15-30)27-35(28-34)51-40-22-12-10-20-36(40)37-24-25-42-43(46(37)51)38-21-11-13-23-41(38)52-42/h1-32H;2*1-28H.
What are the key properties of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 2070.40 g/mol, XLogP of 37.71, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163963951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).