5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole

C45H30N4O — CID 174370064

IUPAC5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCC2C(=C1)N(c1ccccc1)c1ccc3c(oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c43)c12
InChIInChI=1S/C45H30N4O/c1-4-14-29(15-5-1)31-18-12-19-32(28-31)44-46-43(30-16-6-2-7-17-30)47-45(48-44)36-23-13-25-39-40(36)35-26-27-38-41(42(35)50-39)34-22-10-11-24-37(34)49(38)33-20-8-3-9-21-33/h1-21,23-28,34H,22H2
InChIKeyGIRRFIHZVDHERY-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.52
Rot. Bonds5

About 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole

5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 174370064) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID174370064
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCC2C(=C1)N(c1ccccc1)c1ccc3c(oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c43)c12
InChIInChI=1S/C45H30N4O/c1-4-14-29(15-5-1)31-18-12-19-32(28-31)44-46-43(30-16-6-2-7-17-30)47-45(48-44)36-23-13-25-39-40(36)35-26-27-38-41(42(35)50-39)34-22-10-11-24-37(34)49(38)33-20-8-3-9-21-33/h1-21,23-28,34H,22H2
InChIKeyGIRRFIHZVDHERY-UHFFFAOYSA-N
XLogP11.52
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole
CID 166668356
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808464
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole (CID 174370064) is 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CCC2C(=C1)N(c1ccccc1)c1ccc3c(oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c43)c12.
What is the InChIKey of 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GIRRFIHZVDHERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-14-29(15-5-1)31-18-12-19-32(28-31)44-46-43(30-16-6-2-7-17-30)47-45(48-44)36-23-13-25-39-40(36)35-26-27-38-41(42(35)50-39)34-22-10-11-24-37(34)49(38)33-20-8-3-9-21-33/h1-21,23-28,34H,22H2.
What are the key properties of 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole?
5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 642.76 g/mol, XLogP of 11.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 174370064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).