1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

C69H70N2 — CID 20759571

IUPAC1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(N(c3ccc(N(c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)c4cccc5ccccc45)c(C)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C69H70N2/c1-6-10-42-68(43-11-7-2)61-32-20-18-30-57(61)59-39-36-53(47-63(59)68)70(66-34-22-26-50-24-14-16-28-55(50)66)52-38-41-65(49(5)46-52)71(67-35-23-27-51-25-15-17-29-56(51)67)54-37-40-60-58-31-19-21-33-62(58)69(44-12-8-3,45-13-9-4)64(60)48-54/h14-41,46-48H,6-13,42-45H2,1-5H3
InChIKeyUBUZTEYJHFZLSL-UHFFFAOYSA-N
MW927.33 g/mol
LogP20.53
Rot. Bonds18

About 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (PubChem CID 20759571) has the molecular formula C69H70N2 and a molecular weight of 927.33 g/mol. Its IUPAC name is 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
PubChem CID20759571
Molecular FormulaC69H70N2
Molecular Weight927.33 g/mol
Exact Mass926.55
IUPAC Name1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(N(c3ccc(N(c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)c4cccc5ccccc45)c(C)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C69H70N2/c1-6-10-42-68(43-11-7-2)61-32-20-18-30-57(61)59-39-36-53(47-63(59)68)70(66-34-22-26-50-24-14-16-28-55(50)66)52-38-41-65(49(5)46-52)71(67-35-23-27-51-25-15-17-29-56(51)67)54-37-40-60-58-31-19-21-33-62(58)69(44-12-8-3,45-13-9-4)64(60)48-54/h14-41,46-48H,6-13,42-45H2,1-5H3
InChIKeyUBUZTEYJHFZLSL-UHFFFAOYSA-N
XLogP20.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.33
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[bis(9,9-dibutyl-7-methylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 177287838
3-[(9,9-dihexylfluoren-2-yl)-naphthalen-1-ylamino]benzoic acid
CID 139978889
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dihexyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine
CID 168837048
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
CID 177079923
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
CID 168837036
9,9-dibutyl-7-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389946
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (CID 20759571) is 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is CCCCC1(CCCC)c2ccccc2-c2ccc(N(c3ccc(N(c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)c4cccc5ccccc45)c(C)c3)c3cccc4ccccc34)cc21.
What is the InChIKey of 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The InChIKey is UBUZTEYJHFZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H70N2/c1-6-10-42-68(43-11-7-2)61-32-20-18-30-57(61)59-39-36-53(47-63(59)68)70(66-34-22-26-50-24-14-16-28-55(50)66)52-38-41-65(49(5)46-52)71(67-35-23-27-51-25-15-17-29-56(51)67)54-37-40-60-58-31-19-21-33-62(58)69(44-12-8-3,45-13-9-4)64(60)48-54/h14-41,46-48H,6-13,42-45H2,1-5H3.
What are the key properties of 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 927.33 g/mol, XLogP of 20.53, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 20759571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).