4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline

C180H116N12O4S2 — CID 158129818

IUPAC4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8nc9ccccc9o8)cc7)ccc65)cc4)cc3)cc2)c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7nc8ccccc8s7)ccc65)cc4)cc3)cc2)c2ccc(-c3nc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7nc8ccccc8o7)ccc65)c4)c3)c2)cc1
InChIInChI=1S/C68H44N4O2.C56H36N4O2.C56H36N4S2/c1-2-10-55(11-3-1)71(57-39-32-49(33-40-57)47-22-26-52(27-23-47)67-69-61-13-5-8-16-65(61)73-67)56-37-30-48(31-38-56)45-18-20-46(21-19-45)50-34-41-58(42-35-50)72-63-15-7-4-12-59(63)60-44-54(36-43-64(60)72)51-24-28-53(29-25-51)68-70-62-14-6-9-17-66(62)74-68;1-2-17-43(18-3-1)59(44-30-27-37(28-31-44)55-57-49-22-5-8-25-53(49)61-55)45-19-11-15-40(34-45)38-13-10-14-39(33-38)41-16-12-20-46(35-41)60-51-24-7-4-21-47(51)48-36-42(29-32-52(48)60)56-58-50-23-6-9-26-54(50)62-56;1-2-10-43(11-3-1)59(45-33-26-41(27-34-45)55-57-49-13-5-8-16-53(49)61-55)44-29-22-39(23-30-44)37-18-20-38(21-19-37)40-24-31-46(32-25-40)60-51-15-7-4-12-47(51)48-36-42(28-35-52(48)60)56-58-50-14-6-9-17-54(50)62-56/h1-44H;2*1-36H
InChIKeyFSQCNGJVRZLBOM-UHFFFAOYSA-N
MW2575.12 g/mol
LogP49.88
Rot. Bonds26

About 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline

4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline (PubChem CID 158129818) has the molecular formula C180H116N12O4S2 and a molecular weight of 2575.12 g/mol. Its IUPAC name is 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline
PubChem CID158129818
Molecular FormulaC180H116N12O4S2
Molecular Weight2575.12 g/mol
Exact Mass2572.87
IUPAC Name4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8nc9ccccc9o8)cc7)ccc65)cc4)cc3)cc2)c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7nc8ccccc8s7)ccc65)cc4)cc3)cc2)c2ccc(-c3nc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7nc8ccccc8o7)ccc65)c4)c3)c2)cc1
InChIInChI=1S/C68H44N4O2.C56H36N4O2.C56H36N4S2/c1-2-10-55(11-3-1)71(57-39-32-49(33-40-57)47-22-26-52(27-23-47)67-69-61-13-5-8-16-65(61)73-67)56-37-30-48(31-38-56)45-18-20-46(21-19-45)50-34-41-58(42-35-50)72-63-15-7-4-12-59(63)60-44-54(36-43-64(60)72)51-24-28-53(29-25-51)68-70-62-14-6-9-17-66(62)74-68;1-2-17-43(18-3-1)59(44-30-27-37(28-31-44)55-57-49-22-5-8-25-53(49)61-55)45-19-11-15-40(34-45)38-13-10-14-39(33-38)41-16-12-20-46(35-41)60-51-24-7-4-21-47(51)48-36-42(29-32-52(48)60)56-58-50-23-6-9-26-54(50)62-56;1-2-10-43(11-3-1)59(45-33-26-41(27-34-45)55-57-49-13-5-8-16-53(49)61-55)44-29-22-39(23-30-44)37-18-20-38(21-19-37)40-24-31-46(32-25-40)60-51-15-7-4-12-47(51)48-36-42(28-35-52(48)60)56-58-50-14-6-9-17-54(50)62-56/h1-44H;2*1-36H
InChIKeyFSQCNGJVRZLBOM-UHFFFAOYSA-N
XLogP49.88
TPSA154.41 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002575.12
LogP ≤ 549.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline (CID 158129818) is 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8nc9ccccc9o8)cc7)ccc65)cc4)cc3)cc2)c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7nc8ccccc8s7)ccc65)cc4)cc3)cc2)c2ccc(-c3nc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7nc8ccccc8o7)ccc65)c4)c3)c2)cc1.
What is the InChIKey of 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline?
The InChIKey is FSQCNGJVRZLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4O2.C56H36N4O2.C56H36N4S2/c1-2-10-55(11-3-1)71(57-39-32-49(33-40-57)47-22-26-52(27-23-47)67-69-61-13-5-8-16-65(61)73-67)56-37-30-48(31-38-56)45-18-20-46(21-19-45)50-34-41-58(42-35-50)72-63-15-7-4-12-59(63)60-44-54(36-43-64(60)72)51-24-28-53(29-25-51)68-70-62-14-6-9-17-66(62)74-68;1-2-17-43(18-3-1)59(44-30-27-37(28-31-44)55-57-49-22-5-8-25-53(49)61-55)45-19-11-15-40(34-45)38-13-10-14-39(33-38)41-16-12-20-46(35-41)60-51-24-7-4-21-47(51)48-36-42(29-32-52(48)60)56-58-50-23-6-9-26-54(50)62-56;1-2-10-43(11-3-1)59(45-33-26-41(27-34-45)55-57-49-13-5-8-16-53(49)61-55)44-29-22-39(23-30-44)37-18-20-38(21-19-37)40-24-31-46(32-25-40)60-51-15-7-4-12-47(51)48-36-42(28-35-52(48)60)56-58-50-14-6-9-17-54(50)62-56/h1-44H;2*1-36H.
What are the key properties of 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline?
4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline has a molecular weight of 2575.12 g/mol, XLogP of 49.88, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-phenylaniline;3-[3-[3-[3-(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;4-[4-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]phenyl]phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 158129818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).