4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine

C167H185N3 — CID 158645814

IUPAC4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc6c(c5)-c5cc(C)ccc5C6(C)C)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCCCC)cc5)c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(C)ccc5-6)cc2)(C4)C3)cc1
InChIInChI=1S/C62H77N.C55H55N.C50H53N/c1-6-10-13-16-19-48-23-29-53(30-24-48)63(54-31-27-52(28-32-54)61-43-49-39-50(44-61)42-60(41-49,45-61)51-25-21-47(9-4)22-26-51)55-33-35-57-56-34-20-46(5)38-58(56)62(59(57)40-55,36-17-14-11-7-2)37-18-15-12-8-3;1-5-7-10-39-15-24-46(25-16-39)56(47-26-17-42(18-27-47)43-19-30-50-49-11-8-9-12-51(49)53(3,4)52(50)32-43)48-28-22-45(23-29-48)55-35-40-31-41(36-55)34-54(33-40,37-55)44-20-13-38(6-2)14-21-44;1-6-8-9-36-13-19-41(20-14-36)51(43-23-25-47-45(28-43)44-26-34(3)10-24-46(44)48(47,4)5)42-21-17-40(18-22-42)50-31-37-27-38(32-50)30-49(29-37,33-50)39-15-11-35(7-2)12-16-39/h9,20-35,38,40,49-50H,4,6-8,10-19,36-37,39,41-45H2,1-3,5H3;6,8-9,11-30,32,40-41H,2,5,7,10,31,33-37H2,1,3-4H3;7,10-26,28,37-38H,2,6,8-9,27,29-33H2,1,3-5H3
InChIKeyIAYJTQDUFVHYIG-UHFFFAOYSA-N
MW2234.34 g/mol
LogP46.68
Rot. Bonds40

About 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine

4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine (PubChem CID 158645814) has the molecular formula C167H185N3 and a molecular weight of 2234.34 g/mol. Its IUPAC name is 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine.

Molecular Properties

Compound Name4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine
PubChem CID158645814
Molecular FormulaC167H185N3
Molecular Weight2234.34 g/mol
Exact Mass2232.46
IUPAC Name4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc6c(c5)-c5cc(C)ccc5C6(C)C)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCCCC)cc5)c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(C)ccc5-6)cc2)(C4)C3)cc1
InChIInChI=1S/C62H77N.C55H55N.C50H53N/c1-6-10-13-16-19-48-23-29-53(30-24-48)63(54-31-27-52(28-32-54)61-43-49-39-50(44-61)42-60(41-49,45-61)51-25-21-47(9-4)22-26-51)55-33-35-57-56-34-20-46(5)38-58(56)62(59(57)40-55,36-17-14-11-7-2)37-18-15-12-8-3;1-5-7-10-39-15-24-46(25-16-39)56(47-26-17-42(18-27-47)43-19-30-50-49-11-8-9-12-51(49)53(3,4)52(50)32-43)48-28-22-45(23-29-48)55-35-40-31-41(36-55)34-54(33-40,37-55)44-20-13-38(6-2)14-21-44;1-6-8-9-36-13-19-41(20-14-36)51(43-23-25-47-45(28-43)44-26-34(3)10-24-46(44)48(47,4)5)42-21-17-40(18-22-42)50-31-37-27-38(32-50)30-49(29-37,33-50)39-15-11-35(7-2)12-16-39/h9,20-35,38,40,49-50H,4,6-8,10-19,36-37,39,41-45H2,1-3,5H3;6,8-9,11-30,32,40-41H,2,5,7,10,31,33-37H2,1,3-4H3;7,10-26,28,37-38H,2,6,8-9,27,29-33H2,1,3-5H3
InChIKeyIAYJTQDUFVHYIG-UHFFFAOYSA-N
XLogP46.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002234.34
LogP ≤ 546.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 121422308
4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline
CID 121422368
N-(9,9-dihexylfluoren-2-yl)-7-[3-(4-ethenylphenyl)-1-adamantyl]-9,9-dihexyl-N-(4-methylphenyl)fluoren-2-amine
CID 121422318
2-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-N-(4-butylphenyl)-7-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dimethyl-2-N-(4-methylphenyl)fluorene-2,7-diamine;2-N-(4-butylphenyl)-2-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;2-N-(4-butylphenyl)-2-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 159329228
4-N-(4-butylphenyl)-4-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-1-N-(4-methylphenyl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 121422256
4-N-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]-4-N-(4-methylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine;4-N-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 160704392
N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 158076196
3-[3-(4-ethenylphenyl)-1-adamantyl]-9,9-dihexylfluorene
CID 140726591
4-[4-(4-butyl-N-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]anilino)phenyl]benzaldehyde;4-(7-methyl-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 91409805
8-N-(4-butylphenyl)-8-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
CID 121422301
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121422366

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine?
The IUPAC name of 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine (CID 158645814) is 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine.
What is the SMILES notation for 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine?
The canonical SMILES for 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine is C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc6c(c5)-c5cc(C)ccc5C6(C)C)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCCCC)cc5)c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(C)ccc5-6)cc2)(C4)C3)cc1.
What is the InChIKey of 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine?
The InChIKey is IAYJTQDUFVHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H77N.C55H55N.C50H53N/c1-6-10-13-16-19-48-23-29-53(30-24-48)63(54-31-27-52(28-32-54)61-43-49-39-50(44-61)42-60(41-49,45-61)51-25-21-47(9-4)22-26-51)55-33-35-57-56-34-20-46(5)38-58(56)62(59(57)40-55,36-17-14-11-7-2)37-18-15-12-8-3;1-5-7-10-39-15-24-46(25-16-39)56(47-26-17-42(18-27-47)43-19-30-50-49-11-8-9-12-51(49)53(3,4)52(50)32-43)48-28-22-45(23-29-48)55-35-40-31-41(36-55)34-54(33-40,37-55)44-20-13-38(6-2)14-21-44;1-6-8-9-36-13-19-41(20-14-36)51(43-23-25-47-45(28-43)44-26-34(3)10-24-46(44)48(47,4)5)42-21-17-40(18-22-42)50-31-37-27-38(32-50)30-49(29-37,33-50)39-15-11-35(7-2)12-16-39/h9,20-35,38,40,49-50H,4,6-8,10-19,36-37,39,41-45H2,1-3,5H3;6,8-9,11-30,32,40-41H,2,5,7,10,31,33-37H2,1,3-4H3;7,10-26,28,37-38H,2,6,8-9,27,29-33H2,1,3-5H3.
What are the key properties of 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine?
4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine has a molecular weight of 2234.34 g/mol, XLogP of 46.68, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]aniline;N-(4-butylphenyl)-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-6,9,9-trimethylfluoren-3-amine;N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dihexyl-N-(4-hexylphenyl)-7-methylfluoren-2-amine is sourced from PubChem (CID 158645814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).