5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]

C55H39N3S — CID 163959408

IUPAC5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]
SMILESCC1(c2ccccc2)C=C(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2ccccc2N(c2ccccc2)c2ccccc23)N=C(c2ccccc2)C1
InChIInChI=1S/C55H39N3S/c1-54(38-21-7-3-8-22-38)35-45(37-19-5-2-6-20-37)56-51(36-54)58-48-31-17-18-32-50(48)59-53-49(58)34-33-44-52(53)40-25-11-12-26-41(40)55(44)42-27-13-15-29-46(42)57(39-23-9-4-10-24-39)47-30-16-14-28-43(47)55/h2-34,36H,35H2,1H3
InChIKeySGFCSQQXCYKITK-UHFFFAOYSA-N
MW774.01 g/mol
LogP14.13
Rot. Bonds4

About 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]

5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] (PubChem CID 163959408) has the molecular formula C55H39N3S and a molecular weight of 774.01 g/mol. Its IUPAC name is 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine].

Molecular Properties

Compound Name5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]
PubChem CID163959408
Molecular FormulaC55H39N3S
Molecular Weight774.01 g/mol
Exact Mass773.29
IUPAC Name5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]
SMILESCC1(c2ccccc2)C=C(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2ccccc2N(c2ccccc2)c2ccccc23)N=C(c2ccccc2)C1
InChIInChI=1S/C55H39N3S/c1-54(38-21-7-3-8-22-38)35-45(37-19-5-2-6-20-37)56-51(36-54)58-48-31-17-18-32-50(48)59-53-49(58)34-33-44-52(53)40-25-11-12-26-41(40)55(44)42-27-13-15-29-46(42)57(39-23-9-4-10-24-39)47-30-16-14-28-43(47)55/h2-34,36H,35H2,1H3
InChIKeySGFCSQQXCYKITK-UHFFFAOYSA-N
XLogP14.13
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.01
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]
CID 165162448
5'-[4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-indeno[2,1-c]phenothiazine]
CID 142355841
5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine
CID 118668309
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]
CID 165162638
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]
CID 163916715
10-phenyl-4'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521151
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 155333996
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709

Frequently Asked Questions

What is the IUPAC name of 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]?
The IUPAC name of 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] (CID 163959408) is 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine].
What is the SMILES notation for 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]?
The canonical SMILES for 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] is CC1(c2ccccc2)C=C(N2c3ccccc3Sc3c2ccc2c3-c3ccccc3C23c2ccccc2N(c2ccccc2)c2ccccc23)N=C(c2ccccc2)C1.
What is the InChIKey of 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]?
The InChIKey is SGFCSQQXCYKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3S/c1-54(38-21-7-3-8-22-38)35-45(37-19-5-2-6-20-37)56-51(36-54)58-48-31-17-18-32-50(48)59-53-49(58)34-33-44-52(53)40-25-11-12-26-41(40)55(44)42-27-13-15-29-46(42)57(39-23-9-4-10-24-39)47-30-16-14-28-43(47)55/h2-34,36H,35H2,1H3.
What are the key properties of 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine]?
5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] has a molecular weight of 774.01 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-methyl-2,4-diphenyl-3H-pyridin-6-yl)-10-phenylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] is sourced from PubChem (CID 163959408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).