2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole

C69H45N5O — CID 174271838

IUPAC2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C(n2c3cc(-c4cccc5oc6ccccc6c45)ccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)C=C1c1ccccc1
InChIInChI=1S/C69H45N5O/c1-5-20-44(21-6-1)47-38-41-55(69-71-67(45-22-7-2-8-23-45)70-68(72-69)46-24-9-3-10-25-46)61(42-47)74-59-35-18-32-52(51-31-17-34-58-64(51)53-28-13-15-33-57(53)73(58)49-26-11-4-12-27-49)65(59)54-40-39-48(43-60(54)74)50-30-19-37-63-66(50)56-29-14-16-36-62(56)75-63/h1-43,55,61H
InChIKeyMISKAQUNHUUZID-UHFFFAOYSA-N
MW960.15 g/mol
LogP17.62
Rot. Bonds8

About 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole

2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174271838) has the molecular formula C69H45N5O and a molecular weight of 960.15 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174271838
Molecular FormulaC69H45N5O
Molecular Weight960.15 g/mol
Exact Mass959.36
IUPAC Name2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C(n2c3cc(-c4cccc5oc6ccccc6c45)ccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)C=C1c1ccccc1
InChIInChI=1S/C69H45N5O/c1-5-20-44(21-6-1)47-38-41-55(69-71-67(45-22-7-2-8-23-45)70-68(72-69)46-24-9-3-10-25-46)61(42-47)74-59-35-18-32-52(51-31-17-34-58-64(51)53-28-13-15-33-57(53)73(58)49-26-11-4-12-27-49)65(59)54-40-39-48(43-60(54)74)50-30-19-37-63-66(50)56-29-14-16-36-62(56)75-63/h1-43,55,61H
InChIKeyMISKAQUNHUUZID-UHFFFAOYSA-N
XLogP17.62
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.15
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole with MolForge

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Related Compounds

4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592067
bis(2-(2-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole);2-(4-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159318420
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylcarbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 159951134

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole (CID 174271838) is 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole is C1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C(n2c3cc(-c4cccc5oc6ccccc6c45)ccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)C=C1c1ccccc1.
What is the InChIKey of 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is MISKAQUNHUUZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5O/c1-5-20-44(21-6-1)47-38-41-55(69-71-67(45-22-7-2-8-23-45)70-68(72-69)46-24-9-3-10-25-46)61(42-47)74-59-35-18-32-52(51-31-17-34-58-64(51)53-28-13-15-33-57(53)73(58)49-26-11-4-12-27-49)65(59)54-40-39-48(43-60(54)74)50-30-19-37-63-66(50)56-29-14-16-36-62(56)75-63/h1-43,55,61H.
What are the key properties of 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole?
2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 960.15 g/mol, XLogP of 17.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylcyclohexa-2,4-dien-1-yl]-5-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174271838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).