ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine

C66H88N2 — CID 158504625

IUPACethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCN(c1cccc2c1-c1ccccc1C2)c1ccc2ccccc2c1-c1c(N(CC)c2cccc3c2-c2ccccc2C3)ccc2ccccc12
InChIInChI=1S/C50H40N2.8C2H6/c1-3-51(43-25-13-19-37-31-35-17-7-11-23-41(35)47(37)43)45-29-27-33-15-5-9-21-39(33)49(45)50-40-22-10-6-16-34(40)28-30-46(50)52(4-2)44-26-14-20-38-32-36-18-8-12-24-42(36)48(38)44;8*1-2/h5-30H,3-4,31-32H2,1-2H3;8*1-2H3
InChIKeyHKHYKQSZXANXEN-UHFFFAOYSA-N
MW909.44 g/mol
LogP21.33
Rot. Bonds7

About ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine

ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine (PubChem CID 158504625) has the molecular formula C66H88N2 and a molecular weight of 909.44 g/mol. Its IUPAC name is ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine
PubChem CID158504625
Molecular FormulaC66H88N2
Molecular Weight909.44 g/mol
Exact Mass908.69
IUPAC Nameethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCN(c1cccc2c1-c1ccccc1C2)c1ccc2ccccc2c1-c1c(N(CC)c2cccc3c2-c2ccccc2C3)ccc2ccccc12
InChIInChI=1S/C50H40N2.8C2H6/c1-3-51(43-25-13-19-37-31-35-17-7-11-23-41(35)47(37)43)45-29-27-33-15-5-9-21-39(33)49(45)50-40-22-10-6-16-34(40)28-30-46(50)52(4-2)44-26-14-20-38-32-36-18-8-12-24-42(36)48(38)44;8*1-2/h5-30H,3-4,31-32H2,1-2H3;8*1-2H3
InChIKeyHKHYKQSZXANXEN-UHFFFAOYSA-N
XLogP21.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.44
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine
CID 160575408
N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine
CID 157327402
1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
CID 144990400
tetrakis(9,9-dimethylfluorene);ethane;N-ethyl-N,2-diphenylaniline;N-ethyl-N,4-diphenylaniline;pentakis(N-ethyl-N-phenylaniline);N-ethyl-N-phenylnaphthalen-1-amine;tetrakis(9H-fluorene)
CID 159080536
N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-4-amine
CID 158008520
1-(9H-fluoren-4-yl)-1-phenylhydrazine
CID 174550234
24-ethyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 134464184
N-(11H-benzo[a]fluoren-7-yl)-N-phenyl-5,6-dihydrochrysen-3-amine
CID 170130338
N,N-diethyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 11280547
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
N,N-bis(2-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774492
3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158727165

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine?
The IUPAC name of ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine (CID 158504625) is ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine.
What is the SMILES notation for ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine?
The canonical SMILES for ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine is CC.CC.CC.CC.CC.CC.CC.CC.CCN(c1cccc2c1-c1ccccc1C2)c1ccc2ccccc2c1-c1c(N(CC)c2cccc3c2-c2ccccc2C3)ccc2ccccc12.
What is the InChIKey of ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine?
The InChIKey is HKHYKQSZXANXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2.8C2H6/c1-3-51(43-25-13-19-37-31-35-17-7-11-23-41(35)47(37)43)45-29-27-33-15-5-9-21-39(33)49(45)50-40-22-10-6-16-34(40)28-30-46(50)52(4-2)44-26-14-20-38-32-36-18-8-12-24-42(36)48(38)44;8*1-2/h5-30H,3-4,31-32H2,1-2H3;8*1-2H3.
What are the key properties of ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine?
ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine has a molecular weight of 909.44 g/mol, XLogP of 21.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine is sourced from PubChem (CID 158504625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).