4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane

C54H36N4O — CID 142571046

IUPAC4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
SMILESC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6cccc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O.CH4/c1-2-12-33(13-3-1)35-24-27-36(28-25-35)51-54-52(40-29-26-34-14-4-5-15-37(34)30-40)56-53(55-51)57-47-32-39-17-7-6-16-38(39)31-46(47)43-20-10-19-42(49(43)57)45-22-11-21-44-41-18-8-9-23-48(41)58-50(44)45;/h1-32H;1H4
InChIKeySSEGPNMLHHKGAS-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.48
Rot. Bonds5

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

4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane (PubChem CID 142571046) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
PubChem CID142571046
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
SMILESC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6cccc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O.CH4/c1-2-12-33(13-3-1)35-24-27-36(28-25-35)51-54-52(40-29-26-34-14-4-5-15-37(34)30-40)56-53(55-51)57-47-32-39-17-7-6-16-38(39)31-46(47)43-20-10-19-42(49(43)57)45-22-11-21-44-41-18-8-9-23-48(41)58-50(44)45;/h1-32H;1H4
InChIKeySSEGPNMLHHKGAS-UHFFFAOYSA-N
XLogP14.48
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
CID 142570024
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
CID 142570201
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
12-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450699
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane?
The IUPAC name of 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane (CID 142571046) is 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane.
What is the SMILES notation for 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane?
The canonical SMILES for 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane is C.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6cccc7c6oc6ccccc67)c54)n3)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane?
The InChIKey is SSEGPNMLHHKGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.CH4/c1-2-12-33(13-3-1)35-24-27-36(28-25-35)51-54-52(40-29-26-34-14-4-5-15-37(34)30-40)56-53(55-51)57-47-32-39-17-7-6-16-38(39)31-46(47)43-20-10-19-42(49(43)57)45-22-11-21-44-41-18-8-9-23-48(41)58-50(44)45;/h1-32H;1H4.
What are the key properties of 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane?
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane has a molecular weight of 756.91 g/mol, XLogP of 14.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane is sourced from PubChem (CID 142571046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).