9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole

C45H30N4O — CID 166668322

IUPAC9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
SMILESC1=CC2c3cccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3OC2C=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)32-24-26-39-37(27-32)34-19-10-11-21-38(34)49(39)40-22-12-20-36-35-25-23-33(28-41(35)50-42(36)40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28,35,41H
InChIKeyOBELUDYNAZMXJF-UHFFFAOYSA-N
MW642.76 g/mol
LogP10.47
Rot. Bonds5

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole (PubChem CID 166668322) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
PubChem CID166668322
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
SMILESC1=CC2c3cccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3OC2C=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)32-24-26-39-37(27-32)34-19-10-11-21-38(34)49(39)40-22-12-20-36-35-25-23-33(28-41(35)50-42(36)40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28,35,41H
InChIKeyOBELUDYNAZMXJF-UHFFFAOYSA-N
XLogP10.47
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole
CID 146395689
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
9-naphthalen-2-yl-1-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807767
3-[4-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165151703
9-[2-[4-[4-[11-[4-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165151386
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
9-[6-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 170106297

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole (CID 166668322) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole is C1=CC2c3cccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3OC2C=C1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
The InChIKey is OBELUDYNAZMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-13-29(14-5-1)32-24-26-39-37(27-32)34-19-10-11-21-38(34)49(39)40-22-12-20-36-35-25-23-33(28-41(35)50-42(36)40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28,35,41H.
What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole?
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole has a molecular weight of 642.76 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole is sourced from PubChem (CID 166668322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).