N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane

C45H75N — CID 161344011

IUPACN,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N.8C2H6/c1-3-30(4-2)27-21-13-20-26-28(27)24-18-11-12-19-25(24)29(26,22-14-7-5-8-15-22)23-16-9-6-10-17-23;8*1-2/h5-21H,3-4H2,1-2H3;8*1-2H3
InChIKeyVNBCWDJLFNTNGQ-UHFFFAOYSA-N
MW630.10 g/mol
LogP15.11
Rot. Bonds5

About N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane

N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane (PubChem CID 161344011) has the molecular formula C45H75N and a molecular weight of 630.10 g/mol. Its IUPAC name is N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane.

Molecular Properties

Compound NameN,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
PubChem CID161344011
Molecular FormulaC45H75N
Molecular Weight630.10 g/mol
Exact Mass629.59
IUPAC NameN,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27N.8C2H6/c1-3-30(4-2)27-21-13-20-26-28(27)24-18-11-12-19-25(24)29(26,22-14-7-5-8-15-22)23-16-9-6-10-17-23;8*1-2/h5-21H,3-4H2,1-2H3;8*1-2H3
InChIKeyVNBCWDJLFNTNGQ-UHFFFAOYSA-N
XLogP15.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.10
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
9,9-diphenylfluorene;propane
CID 158205050
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane?
The IUPAC name of N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane (CID 161344011) is N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane.
What is the SMILES notation for N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane?
The canonical SMILES for N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane?
The InChIKey is VNBCWDJLFNTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N.8C2H6/c1-3-30(4-2)27-21-13-20-26-28(27)24-18-11-12-19-25(24)29(26,22-14-7-5-8-15-22)23-16-9-6-10-17-23;8*1-2/h5-21H,3-4H2,1-2H3;8*1-2H3.
What are the key properties of N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane?
N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane has a molecular weight of 630.10 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane is sourced from PubChem (CID 161344011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).