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

C59H38N4O — CID 163448900

IUPAC5-[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
SMILESc1ccc(-c2cccc(C3=NC(c4cc5ccccc5c5c4oc4cccc(-n6c7ccccc7c7cc8ccccc8cc76)c45)N=C(c4cccc(-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C59H38N4O/c1-3-16-37(17-4-1)39-23-13-25-44(32-39)57-60-58(45-26-14-24-40(33-45)38-18-5-2-6-19-38)62-59(61-57)49-35-43-22-9-10-27-46(43)54-55-51(30-15-31-53(55)64-56(49)54)63-50-29-12-11-28-47(50)48-34-41-20-7-8-21-42(41)36-52(48)63/h1-36,59H,(H,60,61,62)
InChIKeyBEWXIMQACCXCAX-UHFFFAOYSA-N
MW818.98 g/mol
LogP14.82
Rot. Bonds6

About 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

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 (PubChem CID 163448900) has the molecular formula C59H38N4O and a molecular weight of 818.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID163448900
Molecular FormulaC59H38N4O
Molecular Weight818.98 g/mol
Exact Mass818.30
IUPAC Name5-[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
SMILESc1ccc(-c2cccc(C3=NC(c4cc5ccccc5c5c4oc4cccc(-n6c7ccccc7c7cc8ccccc8cc76)c45)N=C(c4cccc(-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C59H38N4O/c1-3-16-37(17-4-1)39-23-13-25-44(32-39)57-60-58(45-26-14-24-40(33-45)38-18-5-2-6-19-38)62-59(61-57)49-35-43-22-9-10-27-46(43)54-55-51(30-15-31-53(55)64-56(49)54)63-50-29-12-11-28-47(50)48-34-41-20-7-8-21-42(41)36-52(48)63/h1-36,59H,(H,60,61,62)
InChIKeyBEWXIMQACCXCAX-UHFFFAOYSA-N
XLogP14.82
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 514.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
CID 167032747
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-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166916359
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
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-di(anthracen-9-yl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155475009
3,6-diphenyl-9-[2-(2-phenyl-6-triphenylen-2-yl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 170067682
4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 167233528

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(C3=NC(c4cc5ccccc5c5c4oc4cccc(-n6c7ccccc7c7cc8ccccc8cc76)c45)N=C(c4cccc(-c5ccccc5)c4)N3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is BEWXIMQACCXCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4O/c1-3-16-37(17-4-1)39-23-13-25-44(32-39)57-60-58(45-26-14-24-40(33-45)38-18-5-2-6-19-38)62-59(61-57)49-35-43-22-9-10-27-46(43)54-55-51(30-15-31-53(55)64-56(49)54)63-50-29-12-11-28-47(50)48-34-41-20-7-8-21-42(41)36-52(48)63/h1-36,59H,(H,60,61,62).
What are the key properties of 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?
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 has a molecular weight of 818.98 g/mol, XLogP of 14.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163448900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).