10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide

C42H27N3O2S — CID 163588404

IUPAC10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccncc2)c2ccc3c(c21)-c1ccccc1C31c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C42H27N3O2S/c46-48(47)39-21-11-10-20-37(39)45(29-24-26-43-27-25-29)38-23-22-34-40(41(38)48)30-14-4-5-15-31(30)42(34)32-16-6-8-18-35(32)44(28-12-2-1-3-13-28)36-19-9-7-17-33(36)42/h1-27H
InChIKeyGNKZGAMSXQCOBT-UHFFFAOYSA-N
MW637.76 g/mol
LogP9.84
Rot. Bonds2

About 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide

10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide (PubChem CID 163588404) has the molecular formula C42H27N3O2S and a molecular weight of 637.76 g/mol. Its IUPAC name is 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide.

Molecular Properties

Compound Name10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide
PubChem CID163588404
Molecular FormulaC42H27N3O2S
Molecular Weight637.76 g/mol
Exact Mass637.18
IUPAC Name10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccncc2)c2ccc3c(c21)-c1ccccc1C31c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C42H27N3O2S/c46-48(47)39-21-11-10-20-37(39)45(29-24-26-43-27-25-29)38-23-22-34-40(41(38)48)30-14-4-5-15-31(30)42(34)32-16-6-8-18-35(32)44(28-12-2-1-3-13-28)36-19-9-7-17-33(36)42/h1-27H
InChIKeyGNKZGAMSXQCOBT-UHFFFAOYSA-N
XLogP9.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.76
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
CID 139574739
10-phenylspiro[acridine-9,5'-pyrido[4,3-g]isoquinoline]-10'-one
CID 159430495
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 118104063
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
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
CID 144851701
CID 144851701
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372584

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide?
The IUPAC name of 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide (CID 163588404) is 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide.
What is the SMILES notation for 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide?
The canonical SMILES for 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide is O=S1(=O)c2ccccc2N(c2ccncc2)c2ccc3c(c21)-c1ccccc1C31c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide?
The InChIKey is GNKZGAMSXQCOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O2S/c46-48(47)39-21-11-10-20-37(39)45(29-24-26-43-27-25-29)38-23-22-34-40(41(38)48)30-14-4-5-15-31(30)42(34)32-16-6-8-18-35(32)44(28-12-2-1-3-13-28)36-19-9-7-17-33(36)42/h1-27H.
What are the key properties of 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide?
10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide has a molecular weight of 637.76 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide is sourced from PubChem (CID 163588404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).