2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole

C45H32N4 — CID 118199823

IUPAC2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole
SMILESCCn1c2ccccc2c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c4)nc3c21
InChIInChI=1S/C45H32N4/c1-2-49-42-19-10-9-18-37(42)38-26-24-33-25-27-39(46-43(33)44(38)49)36-17-11-16-35(28-36)30-20-22-34(23-21-30)45-47-40(31-12-5-3-6-13-31)29-41(48-45)32-14-7-4-8-15-32/h3-29H,2H2,1H3
InChIKeyNOCPHJDPWODZTE-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.49
Rot. Bonds6

About 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole

2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole (PubChem CID 118199823) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole.

Molecular Properties

Compound Name2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole
PubChem CID118199823
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole
SMILESCCn1c2ccccc2c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c4)nc3c21
InChIInChI=1S/C45H32N4/c1-2-49-42-19-10-9-18-37(42)38-26-24-33-25-27-39(46-43(33)44(38)49)36-17-11-16-35(28-36)30-20-22-34(23-21-30)45-47-40(31-12-5-3-6-13-31)29-41(48-45)32-14-7-4-8-15-32/h3-29H,2H2,1H3
InChIKeyNOCPHJDPWODZTE-UHFFFAOYSA-N
XLogP11.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole
CID 118199825
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-[3-[6-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-[6-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 159863187
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
4-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758762
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693
4-(2,6-diphenylpyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 159186734
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
3-[4-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792574
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole?
The IUPAC name of 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole (CID 118199823) is 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole.
What is the SMILES notation for 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole?
The canonical SMILES for 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole is CCn1c2ccccc2c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c4)nc3c21.
What is the InChIKey of 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole?
The InChIKey is NOCPHJDPWODZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-2-49-42-19-10-9-18-37(42)38-26-24-33-25-27-39(46-43(33)44(38)49)36-17-11-16-35(28-36)30-20-22-34(23-21-30)45-47-40(31-12-5-3-6-13-31)29-41(48-45)32-14-7-4-8-15-32/h3-29H,2H2,1H3.
What are the key properties of 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole?
2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole has a molecular weight of 628.78 g/mol, XLogP of 11.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-ethylpyrido[2,3-a]carbazole is sourced from PubChem (CID 118199823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).