10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]

C50H33NS — CID 140899042

IUPAC10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C4(c5ccccc5)c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C50H33NS/c1-3-17-34(18-4-1)49(42-26-12-15-29-47(42)52-48-30-16-13-27-43(48)49)35-31-32-46-44(33-35)50(39-23-9-7-21-37(39)38-22-8-10-24-40(38)50)41-25-11-14-28-45(41)51(46)36-19-5-2-6-20-36/h1-33H
InChIKeyXFUQABPPAWOWOY-UHFFFAOYSA-N
MW679.89 g/mol
LogP12.68
Rot. Bonds3

About 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]

10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene] (PubChem CID 140899042) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
PubChem CID140899042
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC Name10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C4(c5ccccc5)c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C50H33NS/c1-3-17-34(18-4-1)49(42-26-12-15-29-47(42)52-48-30-16-13-27-43(48)49)35-31-32-46-44(33-35)50(39-23-9-7-21-37(39)38-22-8-10-24-40(38)50)41-25-11-14-28-45(41)51(46)36-19-5-2-6-20-36/h1-33H
InChIKeyXFUQABPPAWOWOY-UHFFFAOYSA-N
XLogP12.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
8,14-diphenyl-5,17-bis(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 169282185
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
21-phenylspiro[14-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249547
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene] (CID 140899042) is 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C4(c5ccccc5)c5ccccc5Sc5ccccc54)ccc32)cc1.
What is the InChIKey of 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]?
The InChIKey is XFUQABPPAWOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-17-34(18-4-1)49(42-26-12-15-29-47(42)52-48-30-16-13-27-43(48)49)35-31-32-46-44(33-35)50(39-23-9-7-21-37(39)38-22-8-10-24-40(38)50)41-25-11-14-28-45(41)51(46)36-19-5-2-6-20-36/h1-33H.
What are the key properties of 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]?
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene] has a molecular weight of 679.89 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 140899042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).