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

C55H42N4O — CID 169055103

IUPAC2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)nc(-c6cccc7c6oc6ccccc67)n5)cc43)cc2)cc1
InChIInChI=1S/C55H42N4O/c1-2-9-37(10-3-1)38-19-24-42(25-20-38)59-48-15-6-4-11-43(48)44-26-21-40(30-49(44)59)53-56-52(39-17-22-41(23-18-39)55-31-34-27-35(32-55)29-36(28-34)33-55)57-54(58-53)47-14-8-13-46-45-12-5-7-16-50(45)60-51(46)47/h1-26,30,34-36H,27-29,31-33H2
InChIKeyQBYSGMFAHACRGZ-UHFFFAOYSA-N
MW774.97 g/mol
LogP14.00
Rot. Bonds6

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

2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 169055103) has the molecular formula C55H42N4O and a molecular weight of 774.97 g/mol. Its IUPAC name is 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole
PubChem CID169055103
Molecular FormulaC55H42N4O
Molecular Weight774.97 g/mol
Exact Mass774.34
IUPAC Name2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)nc(-c6cccc7c6oc6ccccc67)n5)cc43)cc2)cc1
InChIInChI=1S/C55H42N4O/c1-2-9-37(10-3-1)38-19-24-42(25-20-38)59-48-15-6-4-11-43(48)44-26-21-40(30-49(44)59)53-56-52(39-17-22-41(23-18-39)55-31-34-27-35(32-55)29-36(28-34)33-55)57-54(58-53)47-14-8-13-46-45-12-5-7-16-50(45)60-51(46)47/h1-26,30,34-36H,27-29,31-33H2
InChIKeyQBYSGMFAHACRGZ-UHFFFAOYSA-N
XLogP14.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054812
9-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]carbazole-3-carbonitrile
CID 168808359
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169
2-[4-[4-(1-adamantyl)phenyl]-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054901
9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 169055124
2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169055032
2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole (CID 169055103) is 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)nc(-c6cccc7c6oc6ccccc67)n5)cc43)cc2)cc1.
What is the InChIKey of 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is QBYSGMFAHACRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4O/c1-2-9-37(10-3-1)38-19-24-42(25-20-38)59-48-15-6-4-11-43(48)44-26-21-40(30-49(44)59)53-56-52(39-17-22-41(23-18-39)55-31-34-27-35(32-55)29-36(28-34)33-55)57-54(58-53)47-14-8-13-46-45-12-5-7-16-50(45)60-51(46)47/h1-26,30,34-36H,27-29,31-33H2.
What are the key properties of 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole?
2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 774.97 g/mol, XLogP of 14.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 169055103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).