2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine

C58H39N3O — CID 177078993

IUPAC2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccc8ccccc8c7c56)n4)c3-c3ccccc3)ccc21
InChIInChI=1S/C58H39N3O/c1-58(2)48-27-15-14-25-43(48)46-33-40(29-31-49(46)58)45-34-41(36-17-6-3-7-18-36)35-47(52(45)38-20-8-4-9-21-38)57-60-55(39-22-10-5-11-23-39)59-56(61-57)44-26-16-28-50-54(44)53-42-24-13-12-19-37(42)30-32-51(53)62-50/h3-35H,1-2H3
InChIKeyUZMWIZMJOBAMKI-UHFFFAOYSA-N
MW793.97 g/mol
LogP15.23
Rot. Bonds6

About 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine

2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine (PubChem CID 177078993) has the molecular formula C58H39N3O and a molecular weight of 793.97 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
PubChem CID177078993
Molecular FormulaC58H39N3O
Molecular Weight793.97 g/mol
Exact Mass793.31
IUPAC Name2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccc8ccccc8c7c56)n4)c3-c3ccccc3)ccc21
InChIInChI=1S/C58H39N3O/c1-58(2)48-27-15-14-25-43(48)46-33-40(29-31-49(46)58)45-34-41(36-17-6-3-7-18-36)35-47(52(45)38-20-8-4-9-21-38)57-60-55(39-22-10-5-11-23-39)59-56(61-57)44-26-16-28-50-54(44)53-42-24-13-12-19-37(42)30-32-51(53)62-50/h3-35H,1-2H3
InChIKeyUZMWIZMJOBAMKI-UHFFFAOYSA-N
XLogP15.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-[4-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 177079301
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177079134
2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199149
2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
CID 177079133
2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-(9,9-dimethylfluoren-3-yl)-4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198469
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
2-(9,9-dimethylfluoren-3-yl)-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 170680861
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine (CID 177078993) is 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccc8ccccc8c7c56)n4)c3-c3ccccc3)ccc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
The InChIKey is UZMWIZMJOBAMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O/c1-58(2)48-27-15-14-25-43(48)46-33-40(29-31-49(46)58)45-34-41(36-17-6-3-7-18-36)35-47(52(45)38-20-8-4-9-21-38)57-60-55(39-22-10-5-11-23-39)59-56(61-57)44-26-16-28-50-54(44)53-42-24-13-12-19-37(42)30-32-51(53)62-50/h3-35H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine has a molecular weight of 793.97 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]-4-naphtho[2,1-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 177078993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).