4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine

C42H30N4O — CID 171726928

IUPAC4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C42H30N4O/c1-42(2)33-20-11-9-18-30(33)32-26-28(24-25-34(32)42)40-43-39(27-14-5-3-6-15-27)44-41(45-40)46(29-16-7-4-8-17-29)35-21-13-23-37-38(35)31-19-10-12-22-36(31)47-37/h3-26H,1-2H3/i4D,7D,8D,10D,12D,13D,16D,17D,19D,21D,22D,23D
InChIKeyKRQFVCGZIMIZTA-HATUZWNWSA-N
MW618.80 g/mol
LogP10.88
Rot. Bonds5

About 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine

4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 171726928) has the molecular formula C42H30N4O and a molecular weight of 618.80 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine
PubChem CID171726928
Molecular FormulaC42H30N4O
Molecular Weight618.80 g/mol
Exact Mass618.32
IUPAC Name4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C42H30N4O/c1-42(2)33-20-11-9-18-30(33)32-26-28(24-25-34(32)42)40-43-39(27-14-5-3-6-15-27)44-41(45-40)46(29-16-7-4-8-17-29)35-21-13-23-37-38(35)31-19-10-12-22-36(31)47-37/h3-26H,1-2H3/i4D,7D,8D,10D,12D,13D,16D,17D,19D,21D,22D,23D
InChIKeyKRQFVCGZIMIZTA-HATUZWNWSA-N
XLogP10.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.80
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 171589084
2-(9,9-dimethylfluoren-3-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681145
2,3,6,7,8,9-hexadeuterio-N-(9,9-dimethylfluoren-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069522
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 171724617
2,3,4,6,7,8,9-heptadeuterio-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177095749
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
CID 171727139
2-(9,9-dimethylfluoren-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169060113
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727116
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine (CID 171726928) is 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine is [2H]c1c([2H])c([2H])c(N(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)c2c([2H])c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c23)c([2H])c1[2H].
What is the InChIKey of 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is KRQFVCGZIMIZTA-HATUZWNWSA-N. The full InChI is InChI=1S/C42H30N4O/c1-42(2)33-20-11-9-18-30(33)32-26-28(24-25-34(32)42)40-43-39(27-14-5-3-6-15-27)44-41(45-40)46(29-16-7-4-8-17-29)35-21-13-23-37-38(35)31-19-10-12-22-36(31)47-37/h3-26H,1-2H3/i4D,7D,8D,10D,12D,13D,16D,17D,19D,21D,22D,23D.
What are the key properties of 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine?
4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 618.80 g/mol, XLogP of 10.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-3-yl)-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).