9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole

C57H38N4O — CID 167200840

IUPAC9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole
SMILESC1=C2Oc3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3C2CC=C1n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C57H38N4O/c1-4-13-37(14-5-1)40-23-27-42(28-24-40)55-58-56(43-29-25-41(26-30-43)38-15-6-2-7-16-38)60-57(59-55)48-20-12-22-52-54(48)47-33-32-45(36-53(47)62-52)61-50-21-11-10-19-46(50)49-35-44(31-34-51(49)61)39-17-8-3-9-18-39/h1-32,34-36,47H,33H2
InChIKeyJPPPQAONFMXOCO-UHFFFAOYSA-N
MW794.96 g/mol
LogP14.29
Rot. Bonds7

About 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole

9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole (PubChem CID 167200840) has the molecular formula C57H38N4O and a molecular weight of 794.96 g/mol. Its IUPAC name is 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole
PubChem CID167200840
Molecular FormulaC57H38N4O
Molecular Weight794.96 g/mol
Exact Mass794.30
IUPAC Name9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole
SMILESC1=C2Oc3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3C2CC=C1n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C57H38N4O/c1-4-13-37(14-5-1)40-23-27-42(28-24-40)55-58-56(43-29-25-41(26-30-43)38-15-6-2-7-16-38)60-57(59-55)48-20-12-22-52-54(48)47-33-32-45(36-53(47)62-52)61-50-21-11-10-19-46(50)49-35-44(31-34-51(49)61)39-17-8-3-9-18-39/h1-32,34-36,47H,33H2
InChIKeyJPPPQAONFMXOCO-UHFFFAOYSA-N
XLogP14.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170131109
3-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-9-phenylcarbazole
CID 122629660
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole?
The IUPAC name of 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole (CID 167200840) is 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole is C1=C2Oc3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3C2CC=C1n1c2ccccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole?
The InChIKey is JPPPQAONFMXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4O/c1-4-13-37(14-5-1)40-23-27-42(28-24-40)55-58-56(43-29-25-41(26-30-43)38-15-6-2-7-16-38)60-57(59-55)48-20-12-22-52-54(48)47-33-32-45(36-53(47)62-52)61-50-21-11-10-19-46(50)49-35-44(31-34-51(49)61)39-17-8-3-9-18-39/h1-32,34-36,47H,33H2.
What are the key properties of 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole?
9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole has a molecular weight of 794.96 g/mol, XLogP of 14.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole is sourced from PubChem (CID 167200840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).