acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride

C96H67ClN4O3S2 — CID 162045009

IUPACacetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride
SMILESCC(=O)O.Cl.OC(c1cccc(-n2c3ccccc3c3ccccc32)c1)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccsc1-c1ccccc1.c1cc(-n2c3ccccc3c3ccccc32)cc(C2(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3-c3sccc32)c1
InChIInChI=1S/C47H32N2OS.C47H30N2S.C2H4O2.ClH/c50-47(41-28-29-51-46(41)32-14-2-1-3-15-32,33-16-12-18-35(30-33)48-42-24-8-4-20-37(42)38-21-5-9-25-43(38)48)34-17-13-19-36(31-34)49-44-26-10-6-22-39(44)40-23-7-11-27-45(40)49;1-6-22-40-39(21-1)46-41(27-28-50-46)47(40,31-13-11-15-33(29-31)48-42-23-7-2-17-35(42)36-18-3-8-24-43(36)48)32-14-12-16-34(30-32)49-44-25-9-4-19-37(44)38-20-5-10-26-45(38)49;1-2(3)4;/h1-31,50H;1-30H;1H3,(H,3,4);1H
InChIKeyIOGICYOVJDEQBR-UHFFFAOYSA-N
MW1424.20 g/mol
LogP24.71
Rot. Bonds10

About acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride

acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride (PubChem CID 162045009) has the molecular formula C96H67ClN4O3S2 and a molecular weight of 1424.20 g/mol. Its IUPAC name is acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride.

Molecular Properties

Compound Nameacetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride
PubChem CID162045009
Molecular FormulaC96H67ClN4O3S2
Molecular Weight1424.20 g/mol
Exact Mass1422.43
IUPAC Nameacetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride
SMILESCC(=O)O.Cl.OC(c1cccc(-n2c3ccccc3c3ccccc32)c1)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccsc1-c1ccccc1.c1cc(-n2c3ccccc3c3ccccc32)cc(C2(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3-c3sccc32)c1
InChIInChI=1S/C47H32N2OS.C47H30N2S.C2H4O2.ClH/c50-47(41-28-29-51-46(41)32-14-2-1-3-15-32,33-16-12-18-35(30-33)48-42-24-8-4-20-37(42)38-21-5-9-25-43(38)48)34-17-13-19-36(31-34)49-44-26-10-6-22-39(44)40-23-7-11-27-45(40)49;1-6-22-40-39(21-1)46-41(27-28-50-46)47(40,31-13-11-15-33(29-31)48-42-23-7-2-17-35(42)36-18-3-8-24-43(36)48)32-14-12-16-34(30-32)49-44-25-9-4-19-37(44)38-20-5-10-26-45(38)49;1-2(3)4;/h1-31,50H;1-30H;1H3,(H,3,4);1H
InChIKeyIOGICYOVJDEQBR-UHFFFAOYSA-N
XLogP24.71
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001424.20
LogP ≤ 524.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride with MolForge

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Related Compounds

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3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
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9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
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CID 154590619
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
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CID 154590573
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-[3-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-[3-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 157193532
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
[3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane
CID 155602586

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride?
The IUPAC name of acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride (CID 162045009) is acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride.
What is the SMILES notation for acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride?
The canonical SMILES for acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride is CC(=O)O.Cl.OC(c1cccc(-n2c3ccccc3c3ccccc32)c1)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccsc1-c1ccccc1.c1cc(-n2c3ccccc3c3ccccc32)cc(C2(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3-c3sccc32)c1.
What is the InChIKey of acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride?
The InChIKey is IOGICYOVJDEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2OS.C47H30N2S.C2H4O2.ClH/c50-47(41-28-29-51-46(41)32-14-2-1-3-15-32,33-16-12-18-35(30-33)48-42-24-8-4-20-37(42)38-21-5-9-25-43(38)48)34-17-13-19-36(31-34)49-44-26-10-6-22-39(44)40-23-7-11-27-45(40)49;1-6-22-40-39(21-1)46-41(27-28-50-46)47(40,31-13-11-15-33(29-31)48-42-23-7-2-17-35(42)36-18-3-8-24-43(36)48)32-14-12-16-34(30-32)49-44-25-9-4-19-37(44)38-20-5-10-26-45(38)49;1-2(3)4;/h1-31,50H;1-30H;1H3,(H,3,4);1H.
What are the key properties of acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride?
acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride has a molecular weight of 1424.20 g/mol, XLogP of 24.71, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(3-carbazol-9-ylphenyl)-(2-phenylthiophen-3-yl)methanol;9-[3-[4-(3-carbazol-9-ylphenyl)indeno[1,2-b]thiophen-4-yl]phenyl]carbazole;hydrochloride is sourced from PubChem (CID 162045009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).