9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine

C55H60N2 — CID 140895786

IUPAC9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
SMILESC=CCCCCC1(CCCCC=C)c2cc(N(c3ccccc3)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3c(C)cc(C)cc3C)cc21
InChIInChI=1S/C55H60N2/c1-9-11-13-21-31-55(32-22-14-12-10-2)51-37-47(56(45-23-17-15-18-24-45)53-41(5)33-39(3)34-42(53)6)27-29-49(51)50-30-28-48(38-52(50)55)57(46-25-19-16-20-26-46)54-43(7)35-40(4)36-44(54)8/h9-10,15-20,23-30,33-38H,1-2,11-14,21-22,31-32H2,3-8H3
InChIKeyGYIWWFORVAFACO-UHFFFAOYSA-N
MW749.10 g/mol
LogP16.24
Rot. Bonds16

About 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine

9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine (PubChem CID 140895786) has the molecular formula C55H60N2 and a molecular weight of 749.10 g/mol. Its IUPAC name is 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
PubChem CID140895786
Molecular FormulaC55H60N2
Molecular Weight749.10 g/mol
Exact Mass748.48
IUPAC Name9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
SMILESC=CCCCCC1(CCCCC=C)c2cc(N(c3ccccc3)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3c(C)cc(C)cc3C)cc21
InChIInChI=1S/C55H60N2/c1-9-11-13-21-31-55(32-22-14-12-10-2)51-37-47(56(45-23-17-15-18-24-45)53-41(5)33-39(3)34-42(53)6)27-29-49(51)50-30-28-48(38-52(50)55)57(46-25-19-16-20-26-46)54-43(7)35-40(4)36-44(54)8/h9-10,15-20,23-30,33-38H,1-2,11-14,21-22,31-32H2,3-8H3
InChIKeyGYIWWFORVAFACO-UHFFFAOYSA-N
XLogP16.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.10
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
3-[9-(2-cyanoethyl)-2,7-bis(N-(3-methylphenyl)anilino)fluoren-9-yl]propanenitrile
CID 14597878
[9,9-dioctyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 86228244

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
The IUPAC name of 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine (CID 140895786) is 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine.
What is the SMILES notation for 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
The canonical SMILES for 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine is C=CCCCCC1(CCCCC=C)c2cc(N(c3ccccc3)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccccc3)c3c(C)cc(C)cc3C)cc21.
What is the InChIKey of 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
The InChIKey is GYIWWFORVAFACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H60N2/c1-9-11-13-21-31-55(32-22-14-12-10-2)51-37-47(56(45-23-17-15-18-24-45)53-41(5)33-39(3)34-42(53)6)27-29-49(51)50-30-28-48(38-52(50)55)57(46-25-19-16-20-26-46)54-43(7)35-40(4)36-44(54)8/h9-10,15-20,23-30,33-38H,1-2,11-14,21-22,31-32H2,3-8H3.
What are the key properties of 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine has a molecular weight of 749.10 g/mol, XLogP of 16.24, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 140895786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).