4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane

C45H61N — CID 159780690

IUPAC4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane
SMILESCC.CC.CC.CC.CC.CCN(CC)c1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H31N.5C2H6/c1-3-36(4-2)30-22-19-26(20-23-30)27-21-24-34-32(25-27)31-17-11-12-18-33(31)35(34,28-13-7-5-8-14-28)29-15-9-6-10-16-29;5*1-2/h5-25H,3-4H2,1-2H3;5*1-2H3
InChIKeyNHHZXMNGOFJAER-UHFFFAOYSA-N
MW615.99 g/mol
LogP13.69
Rot. Bonds6

About 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane

4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane (PubChem CID 159780690) has the molecular formula C45H61N and a molecular weight of 615.99 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane
PubChem CID159780690
Molecular FormulaC45H61N
Molecular Weight615.99 g/mol
Exact Mass615.48
IUPAC Name4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane
SMILESCC.CC.CC.CC.CC.CCN(CC)c1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H31N.5C2H6/c1-3-36(4-2)30-22-19-26(20-23-30)27-21-24-34-32(25-27)31-17-11-12-18-33(31)35(34,28-13-7-5-8-14-28)29-15-9-6-10-16-29;5*1-2/h5-25H,3-4H2,1-2H3;5*1-2H3
InChIKeyNHHZXMNGOFJAER-UHFFFAOYSA-N
XLogP13.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.99
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline
CID 121424678
3,9,9-triphenylfluorene
CID 140844354
4-carbazol-9-yl-N,N-diethylaniline;4-(4-carbazol-9-ylphenyl)-N,N-diethylaniline;bis(9,9-diphenylfluorene);ethane
CID 160998425
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane?
The IUPAC name of 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane (CID 159780690) is 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane.
What is the SMILES notation for 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane?
The canonical SMILES for 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane is CC.CC.CC.CC.CC.CCN(CC)c1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane?
The InChIKey is NHHZXMNGOFJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N.5C2H6/c1-3-36(4-2)30-22-19-26(20-23-30)27-21-24-34-32(25-27)31-17-11-12-18-33(31)35(34,28-13-7-5-8-14-28)29-15-9-6-10-16-29;5*1-2/h5-25H,3-4H2,1-2H3;5*1-2H3.
What are the key properties of 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane?
4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane has a molecular weight of 615.99 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-3-yl)-N,N-diethylaniline;ethane is sourced from PubChem (CID 159780690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).