9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole

C53H32N4O2 — CID 170368937

IUPAC9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)CC(c1cccc3oc4c(-c5nc(-c6cccc7oc8ccccc8c67)nc(-n6c7ccccc7c7ccccc76)n5)cccc4c13)c1ccccc1-2
InChIInChI=1S/C53H32N4O2/c1-2-15-32-31(14-1)30-42(34-17-4-3-16-33(32)34)37-21-12-29-47-48(37)39-22-11-24-41(50(39)59-47)52-54-51(40-23-13-28-46-49(40)38-20-7-10-27-45(38)58-46)55-53(56-52)57-43-25-8-5-18-35(43)36-19-6-9-26-44(36)57/h1-29,42H,30H2
InChIKeyABPPNIKFXNRHTG-UHFFFAOYSA-N
MW756.87 g/mol
LogP13.46
Rot. Bonds4

About 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole

9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 170368937) has the molecular formula C53H32N4O2 and a molecular weight of 756.87 g/mol. Its IUPAC name is 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
PubChem CID170368937
Molecular FormulaC53H32N4O2
Molecular Weight756.87 g/mol
Exact Mass756.25
IUPAC Name9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)CC(c1cccc3oc4c(-c5nc(-c6cccc7oc8ccccc8c67)nc(-n6c7ccccc7c7ccccc76)n5)cccc4c13)c1ccccc1-2
InChIInChI=1S/C53H32N4O2/c1-2-15-32-31(14-1)30-42(34-17-4-3-16-33(32)34)37-21-12-29-47-48(37)39-22-11-24-41(50(39)59-47)52-54-51(40-23-13-28-46-49(40)38-20-7-10-27-45(38)58-46)55-53(56-52)57-43-25-8-5-18-35(43)36-19-6-9-26-44(36)57/h1-29,42H,30H2
InChIKeyABPPNIKFXNRHTG-UHFFFAOYSA-N
XLogP13.46
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699724
9-(4-dibenzofuran-1-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)carbazole
CID 169278877
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-[4-(9-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952374
15-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene
CID 145017063
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-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)carbazole
CID 146658758
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164984406
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole (CID 170368937) is 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)CC(c1cccc3oc4c(-c5nc(-c6cccc7oc8ccccc8c67)nc(-n6c7ccccc7c7ccccc76)n5)cccc4c13)c1ccccc1-2.
What is the InChIKey of 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is ABPPNIKFXNRHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O2/c1-2-15-32-31(14-1)30-42(34-17-4-3-16-33(32)34)37-21-12-29-47-48(37)39-22-11-24-41(50(39)59-47)52-54-51(40-23-13-28-46-49(40)38-20-7-10-27-45(38)58-46)55-53(56-52)57-43-25-8-5-18-35(43)36-19-6-9-26-44(36)57/h1-29,42H,30H2.
What are the key properties of 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 756.87 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-1-yl-6-[9-(9,10-dihydrophenanthren-9-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170368937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).