6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole

C42H31N3O — CID 118228052

IUPAC6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)NC1c1ccc(-n2c3ccccc3c3c4occc4ccc32)cc1
InChIInChI=1S/C42H31N3O/c1-3-9-28(10-4-1)29-15-17-30(18-16-29)36-27-37(44-42(43-36)33-11-5-2-6-12-33)31-19-22-34(23-20-31)45-38-14-8-7-13-35(38)40-39(45)24-21-32-25-26-46-41(32)40/h1-27,37,42-44H
InChIKeyHMZHXACETYKHTK-UHFFFAOYSA-N
MW593.73 g/mol
LogP10.17
Rot. Bonds5

About 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole

6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole (PubChem CID 118228052) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole
PubChem CID118228052
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Name6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)NC1c1ccc(-n2c3ccccc3c3c4occc4ccc32)cc1
InChIInChI=1S/C42H31N3O/c1-3-9-28(10-4-1)29-15-17-30(18-16-29)36-27-37(44-42(43-36)33-11-5-2-6-12-33)31-19-22-34(23-20-31)45-38-14-8-7-13-35(38)40-39(45)24-21-32-25-26-46-41(32)40/h1-27,37,42-44H
InChIKeyHMZHXACETYKHTK-UHFFFAOYSA-N
XLogP10.17
TPSA42.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole with MolForge

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Related Compounds

12-[4-(6-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156400
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
6-(3,5-diphenylphenyl)furo[3,2-c]carbazole;6-phenylfuro[3,2-c]carbazole;6-(3-phenylphenyl)furo[3,2-c]carbazole;6-(4-phenylphenyl)furo[3,2-c]carbazole
CID 159669938
9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
CID 121466919
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
CID 118229476
4-phenyl-3-[4-[4-[2-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-6-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene
CID 129268886
(13S)-8-[4-[2-(1,2-dihydropyridin-4-yl)-6-(4-pyridin-4-ylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-13-phenyl-14-oxa-8-azatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene
CID 118228021
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
9-dibenzofuran-4-yl-2-[4-phenyl-2-[4-(3-phenylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidin-6-yl]carbazole
CID 139555183
9-[3-(6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-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 135162777

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole?
The IUPAC name of 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole (CID 118228052) is 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole is C1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)NC1c1ccc(-n2c3ccccc3c3c4occc4ccc32)cc1.
What is the InChIKey of 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole?
The InChIKey is HMZHXACETYKHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O/c1-3-9-28(10-4-1)29-15-17-30(18-16-29)36-27-37(44-42(43-36)33-11-5-2-6-12-33)31-19-22-34(23-20-31)45-38-14-8-7-13-35(38)40-39(45)24-21-32-25-26-46-41(32)40/h1-27,37,42-44H.
What are the key properties of 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole?
6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole has a molecular weight of 593.73 g/mol, XLogP of 10.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 118228052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).