6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline

C55H36N4O — CID 155018887

IUPAC6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc(-c6nc7ccccc7c7c6oc6ccccc67)c5)cc5ccccc45)n3)cc21
InChIInChI=1S/C55H36N4O/c1-55(2)45-24-11-8-21-40(45)41-28-27-37(32-46(41)55)53-57-52(33-15-4-3-5-16-33)58-54(59-53)44-31-38(30-35-17-6-7-20-39(35)44)34-18-14-19-36(29-34)50-51-49(42-22-9-12-25-47(42)56-50)43-23-10-13-26-48(43)60-51/h3-32H,1-2H3
InChIKeyCEMJXKDSBMVLKV-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.11
Rot. Bonds5

About 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline

6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 155018887) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID155018887
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc(-c6nc7ccccc7c7c6oc6ccccc67)c5)cc5ccccc45)n3)cc21
InChIInChI=1S/C55H36N4O/c1-55(2)45-24-11-8-21-40(45)41-28-27-37(32-46(41)55)53-57-52(33-15-4-3-5-16-33)58-54(59-53)44-31-38(30-35-17-6-7-20-39(35)44)34-18-14-19-36(29-34)50-51-49(42-22-9-12-25-47(42)56-50)43-23-10-13-26-48(43)60-51/h3-32H,1-2H3
InChIKeyCEMJXKDSBMVLKV-UHFFFAOYSA-N
XLogP14.11
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline with MolForge

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Related Compounds

6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018833
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-1-yl-4-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167675014
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 155018887) is 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc(-c6nc7ccccc7c7c6oc6ccccc67)c5)cc5ccccc45)n3)cc21.
What is the InChIKey of 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is CEMJXKDSBMVLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-55(2)45-24-11-8-21-40(45)41-28-27-37(32-46(41)55)53-57-52(33-15-4-3-5-16-33)58-54(59-53)44-31-38(30-35-17-6-7-20-39(35)44)34-18-14-19-36(29-34)50-51-49(42-22-9-12-25-47(42)56-50)43-23-10-13-26-48(43)60-51/h3-32H,1-2H3.
What are the key properties of 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 768.92 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 155018887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).