2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine

C57H39N3O — CID 176632635

IUPAC2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)c5c4C=CCC=C5)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)cc21
InChIInChI=1S/C57H39N3O/c1-57(2)50-23-13-11-21-44(50)45-27-25-37(34-51(45)57)54-58-55(47-30-28-38(35-15-5-3-6-16-35)40-17-7-4-8-18-42(40)47)60-56(59-54)48-31-29-39(41-19-9-10-20-43(41)48)36-26-32-53-49(33-36)46-22-12-14-24-52(46)61-53/h3,5-34H,4H2,1-2H3
InChIKeySCBDWANQGPGBNT-UHFFFAOYSA-N
MW781.96 g/mol
LogP15.00
Rot. Bonds5

About 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine

2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine (PubChem CID 176632635) has the molecular formula C57H39N3O and a molecular weight of 781.96 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine
PubChem CID176632635
Molecular FormulaC57H39N3O
Molecular Weight781.96 g/mol
Exact Mass781.31
IUPAC Name2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)c5c4C=CCC=C5)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)cc21
InChIInChI=1S/C57H39N3O/c1-57(2)50-23-13-11-21-44(50)45-27-25-37(34-51(45)57)54-58-55(47-30-28-38(35-15-5-3-6-16-35)40-17-7-4-8-18-42(40)47)60-56(59-54)48-31-29-39(41-19-9-10-20-43(41)48)36-26-32-53-49(33-36)46-22-12-14-24-52(46)61-53/h3,5-34H,4H2,1-2H3
InChIKeySCBDWANQGPGBNT-UHFFFAOYSA-N
XLogP15.00
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
CID 176632239
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583328
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine (CID 176632635) is 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)c5c4C=CCC=C5)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)cc21.
What is the InChIKey of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine?
The InChIKey is SCBDWANQGPGBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3O/c1-57(2)50-23-13-11-21-44(50)45-27-25-37(34-51(45)57)54-58-55(47-30-28-38(35-15-5-3-6-16-35)40-17-7-4-8-18-42(40)47)60-56(59-54)48-31-29-39(41-19-9-10-20-43(41)48)36-26-32-53-49(33-36)46-22-12-14-24-52(46)61-53/h3,5-34H,4H2,1-2H3.
What are the key properties of 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine?
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine has a molecular weight of 781.96 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-(9,9-dimethylfluoren-2-yl)-6-(1-phenyl-7H-benzo[7]annulen-4-yl)-1,3,5-triazine is sourced from PubChem (CID 176632635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).