2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine

C42H35N5O — CID 155470477

IUPAC2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)NC1n1c2ccccc2c2ccc(-c3ccc(C4NNC(c5ccccc5)O4)cc3)cc21
InChIInChI=1S/C42H35N5O/c1-4-12-29(13-5-1)36-27-39(44-40(43-36)30-14-6-2-7-15-30)47-37-19-11-10-18-34(37)35-25-24-33(26-38(35)47)28-20-22-32(23-21-28)42-46-45-41(48-42)31-16-8-3-9-17-31/h1-27,39-46H
InChIKeyZJFKAGGPFCEORH-UHFFFAOYSA-N
MW625.78 g/mol
LogP8.71
Rot. Bonds6

About 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine

2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine (PubChem CID 155470477) has the molecular formula C42H35N5O and a molecular weight of 625.78 g/mol. Its IUPAC name is 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine.

Molecular Properties

Compound Name2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine
PubChem CID155470477
Molecular FormulaC42H35N5O
Molecular Weight625.78 g/mol
Exact Mass625.28
IUPAC Name2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)NC1n1c2ccccc2c2ccc(-c3ccc(C4NNC(c5ccccc5)O4)cc3)cc21
InChIInChI=1S/C42H35N5O/c1-4-12-29(13-5-1)36-27-39(44-40(43-36)30-14-6-2-7-15-30)47-37-19-11-10-18-34(37)35-25-24-33(26-38(35)47)28-20-22-32(23-21-28)42-46-45-41(48-42)31-16-8-3-9-17-31/h1-27,39-46H
InChIKeyZJFKAGGPFCEORH-UHFFFAOYSA-N
XLogP8.71
TPSA62.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 58.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

9-dibenzofuran-4-yl-2-[4-phenyl-2-[4-(3-phenylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidin-6-yl]carbazole
CID 139555183
9-phenyl-19-[4-[6-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280624
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
CID 129311945
3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146280207
6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole
CID 118228052
9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
CID 121466919
9-(6-naphtho[1,2-b][1]benzothiol-10-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenylcarbazole
CID 144601362
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849
9-cyclohexyl-3-[4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazinan-2-yl]carbazole
CID 171597412
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole
CID 171596949
9-[3-methyl-6-[3-(4-phenylphenyl)phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]carbazole
CID 90076456

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine?
The IUPAC name of 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine (CID 155470477) is 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine.
What is the SMILES notation for 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine?
The canonical SMILES for 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine is C1=C(c2ccccc2)NC(c2ccccc2)NC1n1c2ccccc2c2ccc(-c3ccc(C4NNC(c5ccccc5)O4)cc3)cc21.
What is the InChIKey of 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine?
The InChIKey is ZJFKAGGPFCEORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N5O/c1-4-12-29(13-5-1)36-27-39(44-40(43-36)30-14-6-2-7-15-30)47-37-19-11-10-18-34(37)35-25-24-33(26-38(35)47)28-20-22-32(23-21-28)42-46-45-41(48-42)31-16-8-3-9-17-31/h1-27,39-46H.
What are the key properties of 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine?
2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine has a molecular weight of 625.78 g/mol, XLogP of 8.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)carbazol-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazolidine is sourced from PubChem (CID 155470477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).