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

C55H36N4O — CID 163570701

IUPAC5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C55H36N4O/c1-3-15-35(16-4-1)37-21-13-22-40(31-37)54-56-53(36-17-5-2-6-18-36)57-55(58-54)41-29-30-48(46(33-41)43-25-14-28-51-52(43)44-24-10-12-27-50(44)60-51)59-47-26-11-9-23-42(47)45-32-38-19-7-8-20-39(38)34-49(45)59/h1-34,55H,(H,56,57,58)
InChIKeyFZBPZZAOAICWMO-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.67
Rot. Bonds6

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

5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (PubChem CID 163570701) 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-(3-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-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
PubChem CID163570701
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C55H36N4O/c1-3-15-35(16-4-1)37-21-13-22-40(31-37)54-56-53(36-17-5-2-6-18-36)57-55(58-54)41-29-30-48(46(33-41)43-25-14-28-51-52(43)44-24-10-12-27-50(44)60-51)59-47-26-11-9-23-42(47)45-32-38-19-7-8-20-39(38)34-49(45)59/h1-34,55H,(H,56,57,58)
InChIKeyFZBPZZAOAICWMO-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-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
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
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
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-di(anthracen-9-yl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155475009
5-[6-[2,6-bis(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]naphtho[2,1-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 163448900
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-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-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (CID 163570701) is 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-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-(3-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-(3-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(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The InChIKey is FZBPZZAOAICWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-3-15-35(16-4-1)37-21-13-22-40(31-37)54-56-53(36-17-5-2-6-18-36)57-55(58-54)41-29-30-48(46(33-41)43-25-14-28-51-52(43)44-24-10-12-27-50(44)60-51)59-47-26-11-9-23-42(47)45-32-38-19-7-8-20-39(38)34-49(45)59/h1-34,55H,(H,56,57,58).
What are the key properties of 5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-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-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 163570701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).