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

C49H32N4O — CID 155018833

IUPAC6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C49H32N4O/c1-49(2)39-19-8-5-15-34(39)35-27-26-32(28-40(35)49)47-51-46(52-48(53-47)36-18-11-13-29-12-3-4-14-33(29)36)31-24-22-30(23-25-31)44-43-38-17-7-10-21-42(38)54-45(43)37-16-6-9-20-41(37)50-44/h3-28H,1-2H3
InChIKeyHYGHLWXPPSRWKI-UHFFFAOYSA-N
MW692.82 g/mol
LogP12.45
Rot. Bonds4

About 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

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 (PubChem CID 155018833) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID155018833
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C49H32N4O/c1-49(2)39-19-8-5-15-34(39)35-27-26-32(28-40(35)49)47-51-46(52-48(53-47)36-18-11-13-29-12-3-4-14-33(29)36)31-24-22-30(23-25-31)44-43-38-17-7-10-21-42(38)54-45(43)37-16-6-9-20-41(37)50-44/h3-28H,1-2H3
InChIKeyHYGHLWXPPSRWKI-UHFFFAOYSA-N
XLogP12.45
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-naphthalen-1-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681249
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
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-[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-(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
6-[4-(4-naphthalen-2-yl-6-pyren-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018836
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4cccc5ccccc45)n3)cc21.
What is the InChIKey of 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?
The InChIKey is HYGHLWXPPSRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-49(2)39-19-8-5-15-34(39)35-27-26-32(28-40(35)49)47-51-46(52-48(53-47)36-18-11-13-29-12-3-4-14-33(29)36)31-24-22-30(23-25-31)44-43-38-17-7-10-21-42(38)54-45(43)37-16-6-9-20-41(37)50-44/h3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 692.82 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155018833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).