5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole

C55H36N4O — CID 155474982

IUPAC5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)N=C(c3ccccc3-c3ccccc3)N2)cc1
InChIInChI=1S/C55H36N4O/c1-3-16-35(17-4-1)40-22-9-10-24-43(40)55-57-53(36-18-5-2-6-19-36)56-54(58-55)39-30-31-48(46(33-39)42-26-15-29-51-52(42)44-25-12-14-28-50(44)60-51)59-47-27-13-11-23-41(47)45-32-37-20-7-8-21-38(37)34-49(45)59/h1-34,54H,(H,56,57,58)
InChIKeySZAALWJNUFXCLN-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.67
Rot. Bonds6

About 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole

5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (PubChem CID 155474982) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
PubChem CID155474982
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)N=C(c3ccccc3-c3ccccc3)N2)cc1
InChIInChI=1S/C55H36N4O/c1-3-16-35(17-4-1)40-22-9-10-24-43(40)55-57-53(36-18-5-2-6-19-36)56-54(58-55)39-30-31-48(46(33-39)42-26-15-29-51-52(42)44-25-12-14-28-50(44)60-51)59-47-27-13-11-23-41(47)45-32-37-20-7-8-21-38(37)34-49(45)59/h1-34,54H,(H,56,57,58)
InChIKeySZAALWJNUFXCLN-UHFFFAOYSA-N
XLogP13.67
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
5-[4-[2,6-bis(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzothiophen-4-ylphenyl]benzo[b]carbazole
CID 155475191
5-[4-[2,6-di(anthracen-9-yl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155475009
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
CID 155474988
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (CID 155474982) is 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)N=C(c3ccccc3-c3ccccc3)N2)cc1.
What is the InChIKey of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The InChIKey is SZAALWJNUFXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-3-16-35(17-4-1)40-22-9-10-24-43(40)55-57-53(36-18-5-2-6-19-36)56-54(58-55)39-30-31-48(46(33-39)42-26-15-29-51-52(42)44-25-12-14-28-50(44)60-51)59-47-27-13-11-23-41(47)45-32-37-20-7-8-21-38(37)34-49(45)59/h1-34,54H,(H,56,57,58).
What are the key properties of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole has a molecular weight of 768.92 g/mol, XLogP of 13.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155474982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).