11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

C50H31N5O — CID 164843565

IUPAC11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39/h1-31H
InChIKeyVDJUNYDDOQPVNE-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.60
Rot. Bonds6

About 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 164843565) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID164843565
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39/h1-31H
InChIKeyVDJUNYDDOQPVNE-UHFFFAOYSA-N
XLogP12.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163416723
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
2,4-bis(4-phenylphenyl)-6-[3-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;9-phenyl-2-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;4-[4-phenyl-6-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 163421741
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 164843565) is 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is VDJUNYDDOQPVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39/h1-31H.
What are the key properties of 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 717.83 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 164843565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).