9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine

C89H93N — CID 168837218

IUPAC9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(C)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(C)ccc3-4)c3ccc4cc(-c5c6ccccc6c(-c6cccc7c6C(CCCC)(CCCC)c6ccccc6-7)c6ccccc56)ccc4c3)cc21
InChIInChI=1S/C89H93N/c1-9-15-48-87(49-16-10-2)80-54-60(7)36-44-69(80)71-46-42-66(58-82(71)87)90(67-43-47-72-70-45-37-61(8)55-81(70)88(50-17-11-3,51-18-12-4)83(72)59-67)65-41-40-62-56-64(39-38-63(62)57-65)84-73-29-21-23-31-75(73)85(76-32-24-22-30-74(76)84)78-34-27-33-77-68-28-25-26-35-79(68)89(86(77)78,52-19-13-5)53-20-14-6/h21-47,54-59H,9-20,48-53H2,1-8H3
InChIKeyWKWYYSNFZKVLIX-UHFFFAOYSA-N
MW1176.73 g/mol
LogP26.51
Rot. Bonds23

About 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine

9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine (PubChem CID 168837218) has the molecular formula C89H93N and a molecular weight of 1176.73 g/mol. Its IUPAC name is 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
PubChem CID168837218
Molecular FormulaC89H93N
Molecular Weight1176.73 g/mol
Exact Mass1175.73
IUPAC Name9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(C)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(C)ccc3-4)c3ccc4cc(-c5c6ccccc6c(-c6cccc7c6C(CCCC)(CCCC)c6ccccc6-7)c6ccccc56)ccc4c3)cc21
InChIInChI=1S/C89H93N/c1-9-15-48-87(49-16-10-2)80-54-60(7)36-44-69(80)71-46-42-66(58-82(71)87)90(67-43-47-72-70-45-37-61(8)55-81(70)88(50-17-11-3,51-18-12-4)83(72)59-67)65-41-40-62-56-64(39-38-63(62)57-65)84-73-29-21-23-31-75(73)85(76-32-24-22-30-74(76)84)78-34-27-33-77-68-28-25-26-35-79(68)89(86(77)78,52-19-13-5)53-20-14-6/h21-47,54-59H,9-20,48-53H2,1-8H3
InChIKeyWKWYYSNFZKVLIX-UHFFFAOYSA-N
XLogP26.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001176.73
LogP ≤ 526.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine with MolForge

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Related Compounds

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-N-(9,9-dibutyl-7-methylfluoren-2-yl)-N-[6-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-2-yl]-7-methylfluoren-2-amine
CID 168837093
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
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
N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
CID 89393937
9-methyl-2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11,12,12-tetraoctylindeno[2,1-a]fluorene
CID 123822547
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
CID 121324360
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
1-N,4-N-bis(9,9-dibutylfluoren-2-yl)-2-methyl-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 20759571

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?
The IUPAC name of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine (CID 168837218) is 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine.
What is the SMILES notation for 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?
The canonical SMILES for 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine is CCCCC1(CCCC)c2cc(C)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(C)ccc3-4)c3ccc4cc(-c5c6ccccc6c(-c6cccc7c6C(CCCC)(CCCC)c6ccccc6-7)c6ccccc56)ccc4c3)cc21.
What is the InChIKey of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?
The InChIKey is WKWYYSNFZKVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H93N/c1-9-15-48-87(49-16-10-2)80-54-60(7)36-44-69(80)71-46-42-66(58-82(71)87)90(67-43-47-72-70-45-37-61(8)55-81(70)88(50-17-11-3,51-18-12-4)83(72)59-67)65-41-40-62-56-64(39-38-63(62)57-65)84-73-29-21-23-31-75(73)85(76-32-24-22-30-74(76)84)78-34-27-33-77-68-28-25-26-35-79(68)89(86(77)78,52-19-13-5)53-20-14-6/h21-47,54-59H,9-20,48-53H2,1-8H3.
What are the key properties of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?
9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine has a molecular weight of 1176.73 g/mol, XLogP of 26.51, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-1-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine is sourced from PubChem (CID 168837218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).