2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C39H29NO — CID 171589084

IUPAC2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)c32)c1[2H]
InChIInChI=1S/C39H29NO/c1-39(2)32-17-8-6-14-29(32)30-16-10-19-34(38(30)39)40(28-24-22-27(23-25-28)26-12-4-3-5-13-26)33-18-11-21-36-37(33)31-15-7-9-20-35(31)41-36/h3-25H,1-2H3/i7D,9D,11D,15D,18D,20D,21D
InChIKeyGMIGIHXAEXKLFS-ZSZYEEOOSA-N
MW534.71 g/mol
LogP11.03
Rot. Bonds4

About 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 171589084) has the molecular formula C39H29NO and a molecular weight of 534.71 g/mol. Its IUPAC name is 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID171589084
Molecular FormulaC39H29NO
Molecular Weight534.71 g/mol
Exact Mass534.27
IUPAC Name2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)c32)c1[2H]
InChIInChI=1S/C39H29NO/c1-39(2)32-17-8-6-14-29(32)30-16-10-19-34(38(30)39)40(28-24-22-27(23-25-28)26-12-4-3-5-13-26)33-18-11-21-36-37(33)31-15-7-9-20-35(31)41-36/h3-25H,1-2H3/i7D,9D,11D,15D,18D,20D,21D
InChIKeyGMIGIHXAEXKLFS-ZSZYEEOOSA-N
XLogP11.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.71
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
2,3,4,6,7,8,9-heptadeuterio-N-phenyl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 177095708
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
CID 176583411
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 167285584
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 142427405
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285801
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095178

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 171589084) is 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is [2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)c32)c1[2H].
What is the InChIKey of 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is GMIGIHXAEXKLFS-ZSZYEEOOSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)32-17-8-6-14-29(32)30-16-10-19-34(38(30)39)40(28-24-22-27(23-25-28)26-12-4-3-5-13-26)33-18-11-21-36-37(33)31-15-7-9-20-35(31)41-36/h3-25H,1-2H3/i7D,9D,11D,15D,18D,20D,21D.
What are the key properties of 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 534.71 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9-heptadeuterio-N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 171589084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).