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

C86H81N — CID 168837093

IUPAC9,9-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
SMILESCCCCC1(CCCC)c2cc(C)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(C)ccc3-4)c3ccc4cc(-c5c6ccccc6c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc56)ccc4c3)cc21
InChIInChI=1S/C86H81N/c1-7-11-45-85(46-12-8-2)79-49-58(5)33-41-71(79)73-43-39-69(56-81(73)85)87(70-40-44-74-72-42-34-59(6)50-80(72)86(47-13-9-3,48-14-10-4)82(74)57-70)68-38-37-62-51-64(36-35-63(62)55-68)83-75-29-21-23-31-77(75)84(78-32-24-22-30-76(78)83)67-53-65(60-25-17-15-18-26-60)52-66(54-67)61-27-19-16-20-28-61/h15-44,49-57H,7-14,45-48H2,1-6H3
InChIKeyDHSHJHQHJCDREQ-UHFFFAOYSA-N
MW1128.60 g/mol
LogP25.19
Rot. Bonds19

About 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

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 (PubChem CID 168837093) has the molecular formula C86H81N and a molecular weight of 1128.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID168837093
Molecular FormulaC86H81N
Molecular Weight1128.60 g/mol
Exact Mass1127.64
IUPAC Name9,9-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
SMILESCCCCC1(CCCC)c2cc(C)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(C)ccc3-4)c3ccc4cc(-c5c6ccccc6c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc56)ccc4c3)cc21
InChIInChI=1S/C86H81N/c1-7-11-45-85(46-12-8-2)79-49-58(5)33-41-71(79)73-43-39-69(56-81(73)85)87(70-40-44-74-72-42-34-59(6)50-80(72)86(47-13-9-3,48-14-10-4)82(74)57-70)68-38-37-62-51-64(36-35-63(62)55-68)83-75-29-21-23-31-77(75)84(78-32-24-22-30-76(78)83)67-53-65(60-25-17-15-18-26-60)52-66(54-67)61-27-19-16-20-28-61/h15-44,49-57H,7-14,45-48H2,1-6H3
InChIKeyDHSHJHQHJCDREQ-UHFFFAOYSA-N
XLogP25.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001128.60
LogP ≤ 525.19
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-(9,9-dibutyl-7-methylfluoren-2-yl)-N-[6-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-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-[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
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
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
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
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
9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine
CID 142742012
7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene
CID 91189901
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
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
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
6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
CID 58875999

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC1(CCCC)c2cc(C)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCC)(CCCC)c3cc(C)ccc3-4)c3ccc4cc(-c5c6ccccc6c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccccc56)ccc4c3)cc21.
What is the InChIKey of 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?
The InChIKey is DHSHJHQHJCDREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H81N/c1-7-11-45-85(46-12-8-2)79-49-58(5)33-41-71(79)73-43-39-69(56-81(73)85)87(70-40-44-74-72-42-34-59(6)50-80(72)86(47-13-9-3,48-14-10-4)82(74)57-70)68-38-37-62-51-64(36-35-63(62)55-68)83-75-29-21-23-31-77(75)84(78-32-24-22-30-76(78)83)67-53-65(60-25-17-15-18-26-60)52-66(54-67)61-27-19-16-20-28-61/h15-44,49-57H,7-14,45-48H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1128.60 g/mol, XLogP of 25.19, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168837093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).