N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C65H50F8N2O — CID 147385019

IUPACN-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C65H50F8N2O/c1-5-41(2)42-24-33-52(34-25-42)76-65(72,73)64(70,71)63(68,69)62(66,67)47-27-37-60-56(39-47)55-38-46(26-36-59(55)75(60)48-16-10-7-11-17-48)45-22-30-50(31-23-45)74(49-28-20-44(21-29-49)43-14-8-6-9-15-43)51-32-35-54-53-18-12-13-19-57(53)61(3,4)58(54)40-51/h6-41H,5H2,1-4H3
InChIKeyDLSNAIMEYJKXPE-UHFFFAOYSA-N
MW1027.11 g/mol
LogP19.44
Rot. Bonds14

About N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 147385019) has the molecular formula C65H50F8N2O and a molecular weight of 1027.11 g/mol. Its IUPAC name is N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID147385019
Molecular FormulaC65H50F8N2O
Molecular Weight1027.11 g/mol
Exact Mass1026.38
IUPAC NameN-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C65H50F8N2O/c1-5-41(2)42-24-33-52(34-25-42)76-65(72,73)64(70,71)63(68,69)62(66,67)47-27-37-60-56(39-47)55-38-46(26-36-59(55)75(60)48-16-10-7-11-17-48)45-22-30-50(31-23-45)74(49-28-20-44(21-29-49)43-14-8-6-9-15-43)51-32-35-54-53-18-12-13-19-57(53)61(3,4)58(54)40-51/h6-41H,5H2,1-4H3
InChIKeyDLSNAIMEYJKXPE-UHFFFAOYSA-N
XLogP19.44
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.11
LogP ≤ 519.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-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

9-(4-Tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
CID 53401213
9-[4-(6-methoxynaphthalen-2-yl)-phenyl]-9H-carbazole
CID 58460616
9-(4'-methoxybiphenyl-4-yl)-9H-carbazole
CID 58905910
9-Spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole
CID 139052249
2-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]propoxy]-5-fluorophenyl]-6-(9H-fluoren-9-yl)-4-methylphenol
CID 21026631
2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593274
1-[(4-Fluorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
CID 57026364
3-N,6-N-diphenyl-3-N,6-N,9-tris[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582206
9-Phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole
CID 59582224
3-N,6-N,9-triphenyl-3-N,6-N-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582226
4-[3-[4-(1,2,2-Trifluoroethenoxy)phenyl]carbazol-9-yl]aniline
CID 59609680
9-[4-[4-[4-(3,5-Difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole
CID 59629481

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 147385019) is N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is DLSNAIMEYJKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50F8N2O/c1-5-41(2)42-24-33-52(34-25-42)76-65(72,73)64(70,71)63(68,69)62(66,67)47-27-37-60-56(39-47)55-38-46(26-36-59(55)75(60)48-16-10-7-11-17-48)45-22-30-50(31-23-45)74(49-28-20-44(21-29-49)43-14-8-6-9-15-43)51-32-35-54-53-18-12-13-19-57(53)61(3,4)58(54)40-51/h6-41H,5H2,1-4H3.
What are the key properties of N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1027.11 g/mol, XLogP of 19.44, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 147385019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).