CID 155427841

C66H54N2S2 — CID 155427841

IUPAC—
SMILESCC(C)(C)c1ccc(-c2cc3c(s2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-c4ccc(C(C)(C)C)cc4)sc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C66H54N2S2/c1-63(2,3)45-37-33-43(34-38-45)59-41-53-61(69-59)66(51-27-15-19-31-57(51)68(48-23-11-8-12-24-48)58-32-20-16-28-52(58)66)54-42-60(44-35-39-46(40-36-44)64(4,5)6)70-62(54)65(53)49-25-13-17-29-55(49)67(47-21-9-7-10-22-47)56-30-18-14-26-50(56)65/h7-42H,1-6H3
InChIKeyWJSQDCUNAMUVNF-UHFFFAOYSA-N
MW939.31 g/mol
LogP18.38
Rot. Bonds4

About CID 155427841

CID 155427841 (PubChem CID 155427841) has the molecular formula C66H54N2S2 and a molecular weight of 939.31 g/mol.

Molecular Properties

Compound NameCID 155427841
PubChem CID155427841
Molecular FormulaC66H54N2S2
Molecular Weight939.31 g/mol
Exact Mass938.37
IUPAC Name—
SMILESCC(C)(C)c1ccc(-c2cc3c(s2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-c4ccc(C(C)(C)C)cc4)sc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C66H54N2S2/c1-63(2,3)45-37-33-43(34-38-45)59-41-53-61(69-59)66(51-27-15-19-31-57(51)68(48-23-11-8-12-24-48)58-32-20-16-28-52(58)66)54-42-60(44-35-39-46(40-36-44)64(4,5)6)70-62(54)65(53)49-25-13-17-29-55(49)67(47-21-9-7-10-22-47)56-30-18-14-26-50(56)65/h7-42H,1-6H3
InChIKeyWJSQDCUNAMUVNF-UHFFFAOYSA-N
XLogP18.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.31
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
CID 155428359
CID 155428359
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine
CID 68542724
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
CID 155427862
CID 155427862
10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670445
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784

Frequently Asked Questions

What is the IUPAC name of CID 155427841?
The IUPAC name of CID 155427841 (CID 155427841) is not available.
What is the SMILES notation for CID 155427841?
The canonical SMILES for CID 155427841 is CC(C)(C)c1ccc(-c2cc3c(s2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-c4ccc(C(C)(C)C)cc4)sc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of CID 155427841?
The InChIKey is WJSQDCUNAMUVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2S2/c1-63(2,3)45-37-33-43(34-38-45)59-41-53-61(69-59)66(51-27-15-19-31-57(51)68(48-23-11-8-12-24-48)58-32-20-16-28-52(58)66)54-42-60(44-35-39-46(40-36-44)64(4,5)6)70-62(54)65(53)49-25-13-17-29-55(49)67(47-21-9-7-10-22-47)56-30-18-14-26-50(56)65/h7-42H,1-6H3.
What are the key properties of CID 155427841?
CID 155427841 has a molecular weight of 939.31 g/mol, XLogP of 18.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427841 is sourced from PubChem (CID 155427841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).