9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine

C65H44N2O — CID 156687341

IUPAC9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
SMILES[2H]c1c([2H])c([2H])c2c(C3(c4cccc5oc6ccccc6c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C65H44N2O/c1-5-21-46(22-6-1)53-32-15-17-36-61(53)67(49-29-11-4-12-30-49)51-40-42-59-56(44-51)55-43-50(66(47-25-7-2-8-26-47)48-27-9-3-10-28-48)39-41-58(55)65(59,57-34-19-24-45-23-13-14-31-52(45)57)60-35-20-38-63-64(60)54-33-16-18-37-62(54)68-63/h1-44H/i13D,14D,19D,23D,24D,31D,34D
InChIKeyVTGNMDFRFQXJFR-KNOHSQIKSA-N
MW876.12 g/mol
LogP17.71
Rot. Bonds9

About 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine

9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine (PubChem CID 156687341) has the molecular formula C65H44N2O and a molecular weight of 876.12 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine.

Molecular Properties

Compound Name9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
PubChem CID156687341
Molecular FormulaC65H44N2O
Molecular Weight876.12 g/mol
Exact Mass875.39
IUPAC Name9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
SMILES[2H]c1c([2H])c([2H])c2c(C3(c4cccc5oc6ccccc6c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C65H44N2O/c1-5-21-46(22-6-1)53-32-15-17-36-61(53)67(49-29-11-4-12-30-49)51-40-42-59-56(44-51)55-43-50(66(47-25-7-2-8-26-47)48-27-9-3-10-28-48)39-41-58(55)65(59,57-34-19-24-45-23-13-14-31-52(45)57)60-35-20-38-63-64(60)54-33-16-18-37-62(54)68-63/h1-44H/i13D,14D,19D,23D,24D,31D,34D
InChIKeyVTGNMDFRFQXJFR-KNOHSQIKSA-N
XLogP17.71
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine;9-dibenzofuran-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
CID 158176424
9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-4-yl)-3-N-(2-phenylphenyl)fluorene-3,6-diamine
CID 156687529
9-dibenzofuran-1-yl-3-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
CID 159248377
9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 157051300
9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
CID 156687400
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
N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 168807381
9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 159062031
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463123
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine
CID 160591525
N-dibenzofuran-1-yl-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;N,N-diphenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;methane;N-naphthalen-1-yl-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;N-phenyl-6-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 159290929

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine?
The IUPAC name of 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine (CID 156687341) is 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine.
What is the SMILES notation for 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine?
The canonical SMILES for 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine is [2H]c1c([2H])c([2H])c2c(C3(c4cccc5oc6ccccc6c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine?
The InChIKey is VTGNMDFRFQXJFR-KNOHSQIKSA-N. The full InChI is InChI=1S/C65H44N2O/c1-5-21-46(22-6-1)53-32-15-17-36-61(53)67(49-29-11-4-12-30-49)51-40-42-59-56(44-51)55-43-50(66(47-25-7-2-8-26-47)48-27-9-3-10-28-48)39-41-58(55)65(59,57-34-19-24-45-23-13-14-31-52(45)57)60-35-20-38-63-64(60)54-33-16-18-37-62(54)68-63/h1-44H/i13D,14D,19D,23D,24D,31D,34D.
What are the key properties of 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine?
9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine has a molecular weight of 876.12 g/mol, XLogP of 17.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine is sourced from PubChem (CID 156687341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).