9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

C46H31N3 — CID 155140501

IUPAC9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H31N3/c1-4-14-34(15-5-1)43-44(35-16-6-2-7-17-35)47-46(48-45(43)36-18-8-3-9-19-36)37-26-24-32(25-27-37)33-28-30-38(31-29-33)49-41-22-12-10-20-39(41)40-21-11-13-23-42(40)49/h1-31H
InChIKeyVKTXDDIZIMOMGF-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.91
Rot. Bonds6

About 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole (PubChem CID 155140501) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
PubChem CID155140501
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H31N3/c1-4-14-34(15-5-1)43-44(35-16-6-2-7-17-35)47-46(48-45(43)36-18-8-3-9-19-36)37-26-24-32(25-27-37)33-28-30-38(31-29-33)49-41-22-12-10-20-39(41)40-21-11-13-23-42(40)49/h1-31H
InChIKeyVKTXDDIZIMOMGF-UHFFFAOYSA-N
XLogP11.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
10-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 163894109
9-phenyl-14-[4-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122237
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole (CID 155140501) is 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is VKTXDDIZIMOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-4-14-34(15-5-1)43-44(35-16-6-2-7-17-35)47-46(48-45(43)36-18-8-3-9-19-36)37-26-24-32(25-27-37)33-28-30-38(31-29-33)49-41-22-12-10-20-39(41)40-21-11-13-23-42(40)49/h1-31H.
What are the key properties of 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 625.78 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 155140501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).