9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C45H28N4O2 — CID 170113354

IUPAC9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC2Oc3ccc(-c4cccc5oc6c(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cccc6c45)cc3C2C=C1
InChIInChI=1S/C45H28N4O2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)49-36-20-7-4-14-30(36)31-15-5-8-21-37(31)49)34-19-10-18-33-41-29(17-11-23-40(41)51-42(33)34)28-24-25-39-35(26-28)32-16-6-9-22-38(32)50-39/h1-26,32,38H
InChIKeyLPXOQHNYIRPWKW-UHFFFAOYSA-N
MW656.75 g/mol
LogP10.84
Rot. Bonds4

About 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 170113354) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID170113354
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC2Oc3ccc(-c4cccc5oc6c(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cccc6c45)cc3C2C=C1
InChIInChI=1S/C45H28N4O2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)49-36-20-7-4-14-30(36)31-15-5-8-21-37(31)49)34-19-10-18-33-41-29(17-11-23-40(41)51-42(33)34)28-24-25-39-35(26-28)32-16-6-9-22-38(32)50-39/h1-26,32,38H
InChIKeyLPXOQHNYIRPWKW-UHFFFAOYSA-N
XLogP10.84
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
9-[4-(9-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952374
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
2-[9-(5a,9a-dihydrodibenzofuran-3-yl)dibenzofuran-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170245080
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309800
9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 170113354) is 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is C1=CC2Oc3ccc(-c4cccc5oc6c(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cccc6c45)cc3C2C=C1.
What is the InChIKey of 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is LPXOQHNYIRPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)49-36-20-7-4-14-30(36)31-15-5-8-21-37(31)49)34-19-10-18-33-41-29(17-11-23-40(41)51-42(33)34)28-24-25-39-35(26-28)32-16-6-9-22-38(32)50-39/h1-26,32,38H.
What are the key properties of 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 656.75 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170113354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).