9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine

C74H47N5S2 — CID 126585579

IUPAC9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7s6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7s6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H47N5S2/c1-2-12-48(13-3-1)49-22-24-50(25-23-49)51-26-28-52(29-27-51)53-30-36-56(37-31-53)77(59-42-44-69-63(46-59)61-14-4-8-18-67(61)78(69)57-38-32-54(33-39-57)73-75-65-16-6-10-20-71(65)80-73)60-43-45-70-64(47-60)62-15-5-9-19-68(62)79(70)58-40-34-55(35-41-58)74-76-66-17-7-11-21-72(66)81-74/h1-47H
InChIKeyLOECJIYHDSOHGU-UHFFFAOYSA-N
MW1070.36 g/mol
LogP20.91
Rot. Bonds10

About 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine

9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine (PubChem CID 126585579) has the molecular formula C74H47N5S2 and a molecular weight of 1070.36 g/mol. Its IUPAC name is 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine
PubChem CID126585579
Molecular FormulaC74H47N5S2
Molecular Weight1070.36 g/mol
Exact Mass1069.33
IUPAC Name9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7s6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7s6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H47N5S2/c1-2-12-48(13-3-1)49-22-24-50(25-23-49)51-26-28-52(29-27-51)53-30-36-56(37-31-53)77(59-42-44-69-63(46-59)61-14-4-8-18-67(61)78(69)57-38-32-54(33-39-57)73-75-65-16-6-10-20-71(65)80-73)60-43-45-70-64(47-60)62-15-5-9-19-68(62)79(70)58-40-34-55(35-41-58)74-76-66-17-7-11-21-72(66)81-74/h1-47H
InChIKeyLOECJIYHDSOHGU-UHFFFAOYSA-N
XLogP20.91
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.36
LogP ≤ 520.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine (CID 126585579) is 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7s6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7s6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine?
The InChIKey is LOECJIYHDSOHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N5S2/c1-2-12-48(13-3-1)49-22-24-50(25-23-49)51-26-28-52(29-27-51)53-30-36-56(37-31-53)77(59-42-44-69-63(46-59)61-14-4-8-18-67(61)78(69)57-38-32-54(33-39-57)73-75-65-16-6-10-20-71(65)80-73)60-43-45-70-64(47-60)62-15-5-9-19-68(62)79(70)58-40-34-55(35-41-58)74-76-66-17-7-11-21-72(66)81-74/h1-47H.
What are the key properties of 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine?
9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine has a molecular weight of 1070.36 g/mol, XLogP of 20.91, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 126585579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).