9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine

C50H35N — CID 156687312

IUPAC9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C50H35N/c1-5-17-35(18-6-1)49-43-27-14-13-25-41(43)45-33-37(29-31-44(45)49)50(36-19-7-2-8-20-36)47-28-16-15-26-42(47)46-34-40(30-32-48(46)50)51(38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34,49H/i2D,7D,8D,19D,20D
InChIKeyWEEMHZNGNVESRY-KNJNLBDSSA-N
MW654.87 g/mol
LogP12.68
Rot. Bonds6

About 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine

9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine (PubChem CID 156687312) has the molecular formula C50H35N and a molecular weight of 654.87 g/mol. Its IUPAC name is 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine.

Molecular Properties

Compound Name9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine
PubChem CID156687312
Molecular FormulaC50H35N
Molecular Weight654.87 g/mol
Exact Mass654.31
IUPAC Name9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C50H35N/c1-5-17-35(18-6-1)49-43-27-14-13-25-41(43)45-33-37(29-31-44(45)49)50(36-19-7-2-8-20-36)47-28-16-15-26-42(47)46-34-40(30-32-48(46)50)51(38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34,49H/i2D,7D,8D,19D,20D
InChIKeyWEEMHZNGNVESRY-KNJNLBDSSA-N
XLogP12.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.87
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(9,9-dimethylfluoren-3-yl)-3-N'-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N'-diphenyl-9,9'-spirobi[fluorene]-3,3'-diamine
CID 168791521
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 156687450
9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 164783664
4-[9,9-diphenyl-3-(9-phenyl-9H-fluoren-3-yl)fluoren-2-yl]-N,N-diphenylaniline
CID 137413930
2-N-(9,9-dimethylfluoren-3-yl)-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791512
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
CID 156687381
9-[3-(9H-fluoren-9-yl)phenyl]-9-phenylfluorene
CID 123461453
N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
CID 164783522
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 156687405
9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 156687617

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine?
The IUPAC name of 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine (CID 156687312) is 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine.
What is the SMILES notation for 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine?
The canonical SMILES for 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine is [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine?
The InChIKey is WEEMHZNGNVESRY-KNJNLBDSSA-N. The full InChI is InChI=1S/C50H35N/c1-5-17-35(18-6-1)49-43-27-14-13-25-41(43)45-33-37(29-31-44(45)49)50(36-19-7-2-8-20-36)47-28-16-15-26-42(47)46-34-40(30-32-48(46)50)51(38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34,49H/i2D,7D,8D,19D,20D.
What are the key properties of 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine?
9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine has a molecular weight of 654.87 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine is sourced from PubChem (CID 156687312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).