7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

C44H31N5O — CID 163934402

IUPAC7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3cc(-n4c5ccccc5c5ccccc54)cc(C4=NC(c5ccc(-c6ccccc6)cc5)N=C(c5ccccc5)N4)c23)NC1
InChIInChI=1S/C44H31N5O/c1-3-12-28(13-4-1)29-21-23-31(24-22-29)42-46-41(30-14-5-2-6-15-30)47-43(48-42)36-26-32(27-39-40(36)35-18-11-25-45-44(35)50-39)49-37-19-9-7-16-33(37)34-17-8-10-20-38(34)49/h1-24,26-27,42,45H,25H2,(H,46,47,48)
InChIKeyRLLUXNGMHKESTO-UHFFFAOYSA-N
MW645.77 g/mol
LogP10.13
Rot. Bonds5

About 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 163934402) has the molecular formula C44H31N5O and a molecular weight of 645.77 g/mol. Its IUPAC name is 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID163934402
Molecular FormulaC44H31N5O
Molecular Weight645.77 g/mol
Exact Mass645.25
IUPAC Name7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3cc(-n4c5ccccc5c5ccccc54)cc(C4=NC(c5ccc(-c6ccccc6)cc5)N=C(c5ccccc5)N4)c23)NC1
InChIInChI=1S/C44H31N5O/c1-3-12-28(13-4-1)29-21-23-31(24-22-29)42-46-41(30-14-5-2-6-15-30)47-43(48-42)36-26-32(27-39-40(36)35-18-11-25-45-44(35)50-39)49-37-19-9-7-16-33(37)34-17-8-10-20-38(34)49/h1-24,26-27,42,45H,25H2,(H,46,47,48)
InChIKeyRLLUXNGMHKESTO-UHFFFAOYSA-N
XLogP10.13
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 161208198
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
2-chrysen-3-yl-5-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801326
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 163934402) is 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=Cc2c(oc3cc(-n4c5ccccc5c5ccccc54)cc(C4=NC(c5ccc(-c6ccccc6)cc5)N=C(c5ccccc5)N4)c23)NC1.
What is the InChIKey of 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is RLLUXNGMHKESTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N5O/c1-3-12-28(13-4-1)29-21-23-31(24-22-29)42-46-41(30-14-5-2-6-15-30)47-43(48-42)36-26-32(27-39-40(36)35-18-11-25-45-44(35)50-39)49-37-19-9-7-16-33(37)34-17-8-10-20-38(34)49/h1-24,26-27,42,45H,25H2,(H,46,47,48).
What are the key properties of 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 645.77 g/mol, XLogP of 10.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163934402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).