CID 155428359

C94H58N2O2S2 — CID 155428359

IUPAC—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)sc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)sc23)cc1
InChIInChI=1S/C94H58N2O2S2/c1-3-33-67(34-4-1)95-81-47-13-9-43-75(81)93(76-44-10-14-48-82(76)95)79-57-87(65-31-21-27-61(55-65)59-25-19-29-63(53-59)69-39-23-41-73-71-37-7-17-51-85(71)97-89(69)73)100-92(79)94(77-45-11-15-49-83(77)96(68-35-5-2-6-36-68)84-50-16-12-46-78(84)94)80-58-88(99-91(80)93)66-32-22-28-62(56-66)60-26-20-30-64(54-60)70-40-24-42-74-72-38-8-18-52-86(72)98-90(70)74/h1-58H
InChIKeyVRRUUSNRKWJWDH-UHFFFAOYSA-N
MW1311.64 g/mol
LogP26.26
Rot. Bonds8

About CID 155428359

CID 155428359 (PubChem CID 155428359) has the molecular formula C94H58N2O2S2 and a molecular weight of 1311.64 g/mol.

Molecular Properties

Compound NameCID 155428359
PubChem CID155428359
Molecular FormulaC94H58N2O2S2
Molecular Weight1311.64 g/mol
Exact Mass1310.39
IUPAC Name—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)sc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)sc23)cc1
InChIInChI=1S/C94H58N2O2S2/c1-3-33-67(34-4-1)95-81-47-13-9-43-75(81)93(76-44-10-14-48-82(76)95)79-57-87(65-31-21-27-61(55-65)59-25-19-29-63(53-59)69-39-23-41-73-71-37-7-17-51-85(71)97-89(69)73)100-92(79)94(77-45-11-15-49-83(77)96(68-35-5-2-6-36-68)84-50-16-12-46-78(84)94)80-58-88(99-91(80)93)66-32-22-28-62(56-66)60-26-20-30-64(54-60)70-40-24-42-74-72-38-8-18-52-86(72)98-90(70)74/h1-58H
InChIKeyVRRUUSNRKWJWDH-UHFFFAOYSA-N
XLogP26.26
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.64
LogP ≤ 526.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166740
CID 155427841
CID 155427841
2-dibenzofuran-4-yl-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 70936203
2-dibenzofuran-4-yl-10-[4-(9,9-dimethylfluoren-1-yl)phenyl]-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465153
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166787
N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine
CID 155297026
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166676
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166630
4,18-di(dibenzofuran-4-yl)-8-(2,6-diphenylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171736962
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 159499661
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(3-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 161417767
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323

Frequently Asked Questions

What is the IUPAC name of CID 155428359?
The IUPAC name of CID 155428359 (CID 155428359) is not available.
What is the SMILES notation for CID 155428359?
The canonical SMILES for CID 155428359 is c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)sc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)sc23)cc1.
What is the InChIKey of CID 155428359?
The InChIKey is VRRUUSNRKWJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H58N2O2S2/c1-3-33-67(34-4-1)95-81-47-13-9-43-75(81)93(76-44-10-14-48-82(76)95)79-57-87(65-31-21-27-61(55-65)59-25-19-29-63(53-59)69-39-23-41-73-71-37-7-17-51-85(71)97-89(69)73)100-92(79)94(77-45-11-15-49-83(77)96(68-35-5-2-6-36-68)84-50-16-12-46-78(84)94)80-58-88(99-91(80)93)66-32-22-28-62(56-66)60-26-20-30-64(54-60)70-40-24-42-74-72-38-8-18-52-86(72)98-90(70)74/h1-58H.
What are the key properties of CID 155428359?
CID 155428359 has a molecular weight of 1311.64 g/mol, XLogP of 26.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428359 is sourced from PubChem (CID 155428359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).