9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole

C45H32N4 — CID 146280194

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole
SMILESC=Cc1c(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2n1-c1ccccc1
InChIInChI=1S/C45H32N4/c1-3-41-30(2)36-25-23-34(28-44(36)48(41)35-19-11-6-12-20-35)33-24-26-43-38(27-33)37-21-13-14-22-42(37)49(43)45-46-39(31-15-7-4-8-16-31)29-40(47-45)32-17-9-5-10-18-32/h3-29H,1H2,2H3
InChIKeyXQFNGCSMOPEWBZ-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.47
Rot. Bonds6

About 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole

9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole (PubChem CID 146280194) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole
PubChem CID146280194
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole
SMILESC=Cc1c(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2n1-c1ccccc1
InChIInChI=1S/C45H32N4/c1-3-41-30(2)36-25-23-34(28-44(36)48(41)35-19-11-6-12-20-35)33-24-26-43-38(27-33)37-21-13-14-22-42(37)49(43)45-46-39(31-15-7-4-8-16-31)29-40(47-45)32-17-9-5-10-18-32/h3-29H,1H2,2H3
InChIKeyXQFNGCSMOPEWBZ-UHFFFAOYSA-N
XLogP11.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
CID 159773020
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 158761140
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88559249

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole (CID 146280194) is 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole is C=Cc1c(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2n1-c1ccccc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole?
The InChIKey is XQFNGCSMOPEWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-3-41-30(2)36-25-23-34(28-44(36)48(41)35-19-11-6-12-20-35)33-24-26-43-38(27-33)37-21-13-14-22-42(37)49(43)45-46-39(31-15-7-4-8-16-31)29-40(47-45)32-17-9-5-10-18-32/h3-29H,1H2,2H3.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole?
9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole has a molecular weight of 628.78 g/mol, XLogP of 11.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole is sourced from PubChem (CID 146280194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).