1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline

C144H125BrN4O4 — CID 162081234

IUPAC1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline
SMILESC=Cc1ccc(OCCCCc2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(CCCCOc7ccc(C=C)cc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.C=Cc1ccc(OCCCCc2ccc(-c3ccc4c(c3)c3cc(-c5ccc(Nc6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.C=Cc1ccc(OCCCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C72H62N2O2.C54H44N2O.C18H19BrO/c1-3-53-25-43-67(44-26-53)75-49-13-11-15-55-21-29-59(30-22-55)61-35-47-71-69(51-61)70-52-62(36-48-72(70)74(71)63-19-9-6-10-20-63)60-33-41-66(42-34-60)73(65-39-31-58(32-40-65)57-17-7-5-8-18-57)64-37-23-56(24-38-64)16-12-14-50-76-68-45-27-54(4-2)28-46-68;1-2-39-18-32-50(33-19-39)57-36-10-9-11-40-16-20-43(21-17-40)45-26-34-53-51(37-45)52-38-46(27-35-54(52)56(53)49-14-7-4-8-15-49)44-24-30-48(31-25-44)55-47-28-22-42(23-29-47)41-12-5-3-6-13-41;1-2-15-8-12-18(13-9-15)20-14-4-3-5-16-6-10-17(19)11-7-16/h3-10,17-48,51-52H,1-2,11-16,49-50H2;2-8,12-35,37-38,55H,1,9-11,36H2;2,6-13H,1,3-5,14H2
InChIKeyZCJHYAPZJIGACR-UHFFFAOYSA-N
MW2055.51 g/mol
LogP39.41
Rot. Bonds41

About 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline

1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline (PubChem CID 162081234) has the molecular formula C144H125BrN4O4 and a molecular weight of 2055.51 g/mol. Its IUPAC name is 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline.

Molecular Properties

Compound Name1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline
PubChem CID162081234
Molecular FormulaC144H125BrN4O4
Molecular Weight2055.51 g/mol
Exact Mass2052.89
IUPAC Name1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline
SMILESC=Cc1ccc(OCCCCc2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(CCCCOc7ccc(C=C)cc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.C=Cc1ccc(OCCCCc2ccc(-c3ccc4c(c3)c3cc(-c5ccc(Nc6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.C=Cc1ccc(OCCCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C72H62N2O2.C54H44N2O.C18H19BrO/c1-3-53-25-43-67(44-26-53)75-49-13-11-15-55-21-29-59(30-22-55)61-35-47-71-69(51-61)70-52-62(36-48-72(70)74(71)63-19-9-6-10-20-63)60-33-41-66(42-34-60)73(65-39-31-58(32-40-65)57-17-7-5-8-18-57)64-37-23-56(24-38-64)16-12-14-50-76-68-45-27-54(4-2)28-46-68;1-2-39-18-32-50(33-19-39)57-36-10-9-11-40-16-20-43(21-17-40)45-26-34-53-51(37-45)52-38-46(27-35-54(52)56(53)49-14-7-4-8-15-49)44-24-30-48(31-25-44)55-47-28-22-42(23-29-47)41-12-5-3-6-13-41;1-2-15-8-12-18(13-9-15)20-14-4-3-5-16-6-10-17(19)11-7-16/h3-10,17-48,51-52H,1-2,11-16,49-50H2;2-8,12-35,37-38,55H,1,9-11,36H2;2,6-13H,1,3-5,14H2
InChIKeyZCJHYAPZJIGACR-UHFFFAOYSA-N
XLogP39.41
TPSA62.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds41
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002055.51
LogP ≤ 539.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline 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-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 155015689
4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline
CID 153452646
N-[4-[6-[4-[4-(4-butan-2-ylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;oxolane
CID 159471732
9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine
CID 155015333
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 177116992
6,9-bis(4-ethenylphenyl)-N-phenylcarbazol-3-amine
CID 166764079
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-[4-(methoxymethyl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-9-[4-(methoxymethyl)phenyl]-N-phenylcarbazol-3-amine
CID 146848929

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline?
The IUPAC name of 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline (CID 162081234) is 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline.
What is the SMILES notation for 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline?
The canonical SMILES for 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline is C=Cc1ccc(OCCCCc2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(CCCCOc7ccc(C=C)cc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.C=Cc1ccc(OCCCCc2ccc(-c3ccc4c(c3)c3cc(-c5ccc(Nc6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.C=Cc1ccc(OCCCCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline?
The InChIKey is ZCJHYAPZJIGACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H62N2O2.C54H44N2O.C18H19BrO/c1-3-53-25-43-67(44-26-53)75-49-13-11-15-55-21-29-59(30-22-55)61-35-47-71-69(51-61)70-52-62(36-48-72(70)74(71)63-19-9-6-10-20-63)60-33-41-66(42-34-60)73(65-39-31-58(32-40-65)57-17-7-5-8-18-57)64-37-23-56(24-38-64)16-12-14-50-76-68-45-27-54(4-2)28-46-68;1-2-39-18-32-50(33-19-39)57-36-10-9-11-40-16-20-43(21-17-40)45-26-34-53-51(37-45)52-38-46(27-35-54(52)56(53)49-14-7-4-8-15-49)44-24-30-48(31-25-44)55-47-28-22-42(23-29-47)41-12-5-3-6-13-41;1-2-15-8-12-18(13-9-15)20-14-4-3-5-16-6-10-17(19)11-7-16/h3-10,17-48,51-52H,1-2,11-16,49-50H2;2-8,12-35,37-38,55H,1,9-11,36H2;2,6-13H,1,3-5,14H2.
What are the key properties of 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline?
1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline has a molecular weight of 2055.51 g/mol, XLogP of 39.41, 41 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(4-ethenylphenoxy)butyl]benzene;4-[4-(4-ethenylphenoxy)butyl]-N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)aniline;N-[4-[6-[4-[4-(4-ethenylphenoxy)butyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 162081234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).