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

C61H40N4O — CID 155475017

IUPAC5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cccc6c5oc5ccccc56)c4)N=C(c4cccc(-c5ccccc5)c4)N3)cc2)cc1
InChIInChI=1S/C61H40N4O/c1-3-15-39(16-4-1)41-29-31-42(32-30-41)59-62-60(46-22-13-21-43(35-46)40-17-5-2-6-18-40)64-61(63-59)47-33-34-55(53(37-47)51-26-14-25-50-49-24-10-12-28-57(49)66-58(50)51)65-54-27-11-9-23-48(54)52-36-44-19-7-8-20-45(44)38-56(52)65/h1-38,61H,(H,62,63,64)
InChIKeyOHZPXCPJZRTAHJ-UHFFFAOYSA-N
MW845.02 g/mol
LogP15.33
Rot. Bonds7

About 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

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 (PubChem CID 155475017) has the molecular formula C61H40N4O and a molecular weight of 845.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
PubChem CID155475017
Molecular FormulaC61H40N4O
Molecular Weight845.02 g/mol
Exact Mass844.32
IUPAC Name5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cccc6c5oc5ccccc56)c4)N=C(c4cccc(-c5ccccc5)c4)N3)cc2)cc1
InChIInChI=1S/C61H40N4O/c1-3-15-39(16-4-1)41-29-31-42(32-30-41)59-62-60(46-22-13-21-43(35-46)40-17-5-2-6-18-40)64-61(63-59)47-33-34-55(53(37-47)51-26-14-25-50-49-24-10-12-28-57(49)66-58(50)51)65-54-27-11-9-23-48(54)52-36-44-19-7-8-20-45(44)38-56(52)65/h1-38,61H,(H,62,63,64)
InChIKeyOHZPXCPJZRTAHJ-UHFFFAOYSA-N
XLogP15.33
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.02
LogP ≤ 515.33
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-[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-[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
9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
CID 167032747
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
5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474715
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166915890
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
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
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-[2-[2-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699531

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(C3=NC(c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cccc6c5oc5ccccc56)c4)N=C(c4cccc(-c5ccccc5)c4)N3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OHZPXCPJZRTAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O/c1-3-15-39(16-4-1)41-29-31-42(32-30-41)59-62-60(46-22-13-21-43(35-46)40-17-5-2-6-18-40)64-61(63-59)47-33-34-55(53(37-47)51-26-14-25-50-49-24-10-12-28-57(49)66-58(50)51)65-54-27-11-9-23-48(54)52-36-44-19-7-8-20-45(44)38-56(52)65/h1-38,61H,(H,62,63,64).
What are the key properties of 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?
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 has a molecular weight of 845.02 g/mol, XLogP of 15.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155475017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).