2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile

C159H99N15 — CID 163995316

IUPAC2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2c(-c3ccccc3)cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-c1ccccc1
InChIInChI=1S/3C53H33N5/c54-34-45-50(36-19-6-2-7-20-36)55-53(56-51(45)37-21-8-3-9-22-37)43-27-16-26-39(35-17-4-1-5-18-35)52(43)58-48-30-15-12-25-42(48)44-33-38(31-32-49(44)58)57-46-28-13-10-23-40(46)41-24-11-14-29-47(41)57;54-34-44-51(36-19-6-2-7-20-36)55-53(56-52(44)37-21-8-3-9-22-37)50-39(35-17-4-1-5-18-35)26-16-30-49(50)58-47-29-15-12-25-42(47)43-33-38(31-32-48(43)58)57-45-27-13-10-23-40(45)41-24-11-14-28-46(41)57;54-34-45-51(36-18-6-2-7-19-36)55-53(56-52(45)37-20-8-3-9-21-37)38-28-30-49(43(32-38)35-16-4-1-5-17-35)58-48-27-15-12-24-42(48)44-33-39(29-31-50(44)58)57-46-25-13-10-22-40(46)41-23-11-14-26-47(41)57/h3*1-33H
InChIKeyUEEHTLRPRYTYJG-UHFFFAOYSA-N
MW2219.65 g/mol
LogP39.63
Rot. Bonds18

About 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile

2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 163995316) has the molecular formula C159H99N15 and a molecular weight of 2219.65 g/mol. Its IUPAC name is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID163995316
Molecular FormulaC159H99N15
Molecular Weight2219.65 g/mol
Exact Mass2217.82
IUPAC Name2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2c(-c3ccccc3)cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-c1ccccc1
InChIInChI=1S/3C53H33N5/c54-34-45-50(36-19-6-2-7-20-36)55-53(56-51(45)37-21-8-3-9-22-37)43-27-16-26-39(35-17-4-1-5-18-35)52(43)58-48-30-15-12-25-42(48)44-33-38(31-32-49(44)58)57-46-28-13-10-23-40(46)41-24-11-14-29-47(41)57;54-34-44-51(36-19-6-2-7-20-36)55-53(56-52(44)37-21-8-3-9-22-37)50-39(35-17-4-1-5-18-35)26-16-30-49(50)58-47-29-15-12-25-42(47)43-33-38(31-32-48(43)58)57-45-27-13-10-23-40(45)41-24-11-14-28-46(41)57;54-34-45-51(36-18-6-2-7-19-36)55-53(56-52(45)37-20-8-3-9-21-37)38-28-30-49(43(32-38)35-16-4-1-5-17-35)58-48-27-15-12-24-42(48)44-33-39(29-31-50(44)58)57-46-25-13-10-22-40(46)41-23-11-14-26-47(41)57/h3*1-33H
InChIKeyUEEHTLRPRYTYJG-UHFFFAOYSA-N
XLogP39.63
TPSA178.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.65
LogP ≤ 539.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163540972
2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163625687
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496184
3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 160750615
3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 147991874
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495509
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile (CID 163995316) is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2c(-c3ccccc3)cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is UEEHTLRPRYTYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C53H33N5/c54-34-45-50(36-19-6-2-7-20-36)55-53(56-51(45)37-21-8-3-9-22-37)43-27-16-26-39(35-17-4-1-5-18-35)52(43)58-48-30-15-12-25-42(48)44-33-38(31-32-49(44)58)57-46-28-13-10-23-40(46)41-24-11-14-29-47(41)57;54-34-44-51(36-19-6-2-7-20-36)55-53(56-52(44)37-21-8-3-9-22-37)50-39(35-17-4-1-5-18-35)26-16-30-49(50)58-47-29-15-12-25-42(47)43-33-38(31-32-48(43)58)57-45-27-13-10-23-40(45)41-24-11-14-28-46(41)57;54-34-45-51(36-18-6-2-7-19-36)55-53(56-52(45)37-20-8-3-9-21-37)38-28-30-49(43(32-38)35-16-4-1-5-17-35)58-48-27-15-12-24-42(48)44-33-39(29-31-50(44)58)57-46-25-13-10-22-40(46)41-23-11-14-26-47(41)57/h3*1-33H.
What are the key properties of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 2219.65 g/mol, XLogP of 39.63, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163995316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).