N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

C157H167N3O — CID 157390320

IUPACN-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESC=Cc1ccc(Oc2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8cc(-c%10ccccc%10)ccc8-9)cc7)c7ccc(C(C)CC)cc7)cc6)ccc4-5)cc3)cc2)cc1.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)CC5)cc3)cc21
InChIInChI=1S/C105H112N2O.C52H55N/c1-9-15-19-26-68-104(69-27-20-16-10-2)100-72-84(80-30-24-23-25-31-80)44-64-96(100)97-65-45-85(73-101(97)104)82-40-54-91(55-41-82)107(89-50-36-79(37-51-89)77(8)13-5)92-56-42-83(43-57-92)87-47-67-99-98-66-46-86(74-102(98)105(103(99)75-87,70-28-21-17-11-3)71-29-22-18-12-4)81-38-52-90(53-39-81)106(88-48-32-76(7)33-49-88)93-58-62-95(63-59-93)108-94-60-34-78(14-6)35-61-94;1-4-6-8-13-33-52(34-14-9-7-5-2)50-35-38(3)17-31-48(50)49-32-25-44(37-51(49)52)42-22-28-46(29-23-42)53(47-30-24-41-18-19-43(41)36-47)45-26-20-40(21-27-45)39-15-11-10-12-16-39/h14,23-25,30-67,72-75,77H,6,9-13,15-22,26-29,68-71H2,1-5,7-8H3;10-12,15-17,20-32,35-37H,4-9,13-14,18-19,33-34H2,1-3H3
InChIKeyBLXUNDOEZMOFGW-UHFFFAOYSA-N
MW2112.08 g/mol
LogP47.07
Rot. Bonds50

About N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (PubChem CID 157390320) has the molecular formula C157H167N3O and a molecular weight of 2112.08 g/mol. Its IUPAC name is N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.

Molecular Properties

Compound NameN-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
PubChem CID157390320
Molecular FormulaC157H167N3O
Molecular Weight2112.08 g/mol
Exact Mass2110.31
IUPAC NameN-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESC=Cc1ccc(Oc2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8cc(-c%10ccccc%10)ccc8-9)cc7)c7ccc(C(C)CC)cc7)cc6)ccc4-5)cc3)cc2)cc1.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)CC5)cc3)cc21
InChIInChI=1S/C105H112N2O.C52H55N/c1-9-15-19-26-68-104(69-27-20-16-10-2)100-72-84(80-30-24-23-25-31-80)44-64-96(100)97-65-45-85(73-101(97)104)82-40-54-91(55-41-82)107(89-50-36-79(37-51-89)77(8)13-5)92-56-42-83(43-57-92)87-47-67-99-98-66-46-86(74-102(98)105(103(99)75-87,70-28-21-17-11-3)71-29-22-18-12-4)81-38-52-90(53-39-81)106(88-48-32-76(7)33-49-88)93-58-62-95(63-59-93)108-94-60-34-78(14-6)35-61-94;1-4-6-8-13-33-52(34-14-9-7-5-2)50-35-38(3)17-31-48(50)49-32-25-44(37-51(49)52)42-22-28-46(29-23-42)53(47-30-24-41-18-19-43(41)36-47)45-26-20-40(21-27-45)39-15-11-10-12-16-39/h14,23-25,30-67,72-75,77H,6,9-13,15-22,26-29,68-71H2,1-5,7-8H3;10-12,15-17,20-32,35-37H,4-9,13-14,18-19,33-34H2,1-3H3
InChIKeyBLXUNDOEZMOFGW-UHFFFAOYSA-N
XLogP47.07
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds50
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002112.08
LogP ≤ 547.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine with MolForge

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Related Compounds

N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline
CID 88559551
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-butan-2-ylfluoren-2-yl]phenyl]-7-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630030
7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630042
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
CID 159774241
CID 159774241
N-[4-[4-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 153294016
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;bis(2-N,7-N-bis(4-butan-2-ylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine);bis(2,7-dimethyl-9,9-dioctylfluorene);bis(3-ethenyl-N,N-bis(4-methylphenyl)aniline);4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 162204964
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The IUPAC name of N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (CID 157390320) is N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.
What is the SMILES notation for N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The canonical SMILES for N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is C=Cc1ccc(Oc2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8cc(-c%10ccccc%10)ccc8-9)cc7)c7ccc(C(C)CC)cc7)cc6)ccc4-5)cc3)cc2)cc1.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)CC5)cc3)cc21.
What is the InChIKey of N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The InChIKey is BLXUNDOEZMOFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H112N2O.C52H55N/c1-9-15-19-26-68-104(69-27-20-16-10-2)100-72-84(80-30-24-23-25-31-80)44-64-96(100)97-65-45-85(73-101(97)104)82-40-54-91(55-41-82)107(89-50-36-79(37-51-89)77(8)13-5)92-56-42-83(43-57-92)87-47-67-99-98-66-46-86(74-102(98)105(103(99)75-87,70-28-21-17-11-3)71-29-22-18-12-4)81-38-52-90(53-39-81)106(88-48-32-76(7)33-49-88)93-58-62-95(63-59-93)108-94-60-34-78(14-6)35-61-94;1-4-6-8-13-33-52(34-14-9-7-5-2)50-35-38(3)17-31-48(50)49-32-25-44(37-51(49)52)42-22-28-46(29-23-42)53(47-30-24-41-18-19-43(41)36-47)45-26-20-40(21-27-45)39-15-11-10-12-16-39/h14,23-25,30-67,72-75,77H,6,9-13,15-22,26-29,68-71H2,1-5,7-8H3;10-12,15-17,20-32,35-37H,4-9,13-14,18-19,33-34H2,1-3H3.
What are the key properties of N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine has a molecular weight of 2112.08 g/mol, XLogP of 47.07, 50 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is sourced from PubChem (CID 157390320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).