6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole

C44H35N7O — CID 134390813

IUPAC6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
SMILESC1=CC(c2ccc(C3N=C(c4cccc(-n5c6ccccc6c6c7c(ccc65)NC(c5ccccc5)O7)c4)NC(c4ccncc4)N3)cc2)=CCN1
InChIInChI=1S/C44H35N7O/c1-2-7-32(8-3-1)44-47-36-17-18-38-39(40(36)52-44)35-11-4-5-12-37(35)51(38)34-10-6-9-33(27-34)43-49-41(48-42(50-43)31-21-25-46-26-22-31)30-15-13-28(14-16-30)29-19-23-45-24-20-29/h1-23,25-27,41-42,44-45,47-48H,24H2,(H,49,50)
InChIKeyFBFUOJUEEDYIKZ-UHFFFAOYSA-N
MW677.81 g/mol
LogP8.52
Rot. Bonds6

About 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole

6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 134390813) has the molecular formula C44H35N7O and a molecular weight of 677.81 g/mol. Its IUPAC name is 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
PubChem CID134390813
Molecular FormulaC44H35N7O
Molecular Weight677.81 g/mol
Exact Mass677.29
IUPAC Name6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
SMILESC1=CC(c2ccc(C3N=C(c4cccc(-n5c6ccccc6c6c7c(ccc65)NC(c5ccccc5)O7)c4)NC(c4ccncc4)N3)cc2)=CCN1
InChIInChI=1S/C44H35N7O/c1-2-7-32(8-3-1)44-47-36-17-18-38-39(40(36)52-44)35-11-4-5-12-37(35)51(38)34-10-6-9-33(27-34)43-49-41(48-42(50-43)31-21-25-46-26-22-31)30-15-13-28(14-16-30)29-19-23-45-24-20-29/h1-23,25-27,41-42,44-45,47-48H,24H2,(H,49,50)
InChIKeyFBFUOJUEEDYIKZ-UHFFFAOYSA-N
XLogP8.52
TPSA87.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 58.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole with MolForge

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Related Compounds

6-(3,5-dipyridin-4-ylphenyl)-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390771
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-6-pyridin-4-yl-1,2,3,4-tetrahydropyrimidin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228086
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-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 134401083
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 118228554
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]furo[3,2-c]carbazole
CID 118227963
24-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 145080034
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
(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
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole (CID 134390813) is 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole is C1=CC(c2ccc(C3N=C(c4cccc(-n5c6ccccc6c6c7c(ccc65)NC(c5ccccc5)O7)c4)NC(c4ccncc4)N3)cc2)=CCN1.
What is the InChIKey of 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is FBFUOJUEEDYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N7O/c1-2-7-32(8-3-1)44-47-36-17-18-38-39(40(36)52-44)35-11-4-5-12-37(35)51(38)34-10-6-9-33(27-34)43-49-41(48-42(50-43)31-21-25-46-26-22-31)30-15-13-28(14-16-30)29-19-23-45-24-20-29/h1-23,25-27,41-42,44-45,47-48H,24H2,(H,49,50).
What are the key properties of 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 677.81 g/mol, XLogP of 8.52, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 134390813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).