1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine

C38H27NO — CID 169022035

IUPAC1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine
SMILES[2H]c1cc([2H])c([2H])c(N(c2cc([2H])c([2H])c([2H])c2[2H])c2cc([2H])c3c(oc4cc([2H])c([2H])c([2H])c43)c2C2(C)c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c32)c1
InChIInChI=1S/C38H27NO/c1-38(32-21-11-8-18-28(32)29-19-9-12-22-33(29)38)36-34(25-24-31-30-20-10-13-23-35(30)40-37(31)36)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-25H,1H3/i2D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,16D,18D,19D,20D,21D,22D,24D
InChIKeyWRXUZRYXTIKJMQ-TXAAFKQSSA-N
MW532.76 g/mol
LogP10.39
Rot. Bonds4

About 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine

1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine (PubChem CID 169022035) has the molecular formula C38H27NO and a molecular weight of 532.76 g/mol. Its IUPAC name is 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine
PubChem CID169022035
Molecular FormulaC38H27NO
Molecular Weight532.76 g/mol
Exact Mass532.33
IUPAC Name1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine
SMILES[2H]c1cc([2H])c([2H])c(N(c2cc([2H])c([2H])c([2H])c2[2H])c2cc([2H])c3c(oc4cc([2H])c([2H])c([2H])c43)c2C2(C)c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c32)c1
InChIInChI=1S/C38H27NO/c1-38(32-21-11-8-18-28(32)29-19-9-12-22-33(29)38)36-34(25-24-31-30-20-10-13-23-35(30)40-37(31)36)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-25H,1H3/i2D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,16D,18D,19D,20D,21D,22D,24D
InChIKeyWRXUZRYXTIKJMQ-TXAAFKQSSA-N
XLogP10.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.76
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine
CID 169021952
2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline
CID 169022389
1',2,2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168749976
1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402406
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744369
1,2,3,4,6,7,8,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167403115
1,6,7,8,9-pentadeuterio-N-[3,5-dideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-(1,2,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 168734284
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
CID 169022363
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine
CID 176607735
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
3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine
CID 168791333
2,3,6,7,8,9-hexadeuterio-N-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-4-[1,2,3,4,5,6,7,8-octadeuterio-9-(trideuteriomethyl)fluoren-9-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-amine
CID 169022014

Frequently Asked Questions

What is the IUPAC name of 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine?
The IUPAC name of 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine (CID 169022035) is 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine.
What is the SMILES notation for 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine?
The canonical SMILES for 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine is [2H]c1cc([2H])c([2H])c(N(c2cc([2H])c([2H])c([2H])c2[2H])c2cc([2H])c3c(oc4cc([2H])c([2H])c([2H])c43)c2C2(C)c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c32)c1.
What is the InChIKey of 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine?
The InChIKey is WRXUZRYXTIKJMQ-TXAAFKQSSA-N. The full InChI is InChI=1S/C38H27NO/c1-38(32-21-11-8-18-28(32)29-19-9-12-22-33(29)38)36-34(25-24-31-30-20-10-13-23-35(30)40-37(31)36)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-25H,1H3/i2D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,16D,18D,19D,20D,21D,22D,24D.
What are the key properties of 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine?
1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine has a molecular weight of 532.76 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169022035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).