10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine

C47H33NS — CID 59195940

IUPAC10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4c5ccccc5Sc5ccccc54)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C47H33NS/c1-47(2)38-21-9-8-19-35(38)45-36(20-14-22-39(45)47)44-32-17-6-7-18-33(32)46(34-28-27-31(29-37(34)44)30-15-4-3-5-16-30)48-40-23-10-12-25-42(40)49-43-26-13-11-24-41(43)48/h3-29H,1-2H3
InChIKeyMQFVEKUFFWYSQW-UHFFFAOYSA-N
MW643.86 g/mol
LogP13.57
Rot. Bonds3

About 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine

10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine (PubChem CID 59195940) has the molecular formula C47H33NS and a molecular weight of 643.86 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine.

Molecular Properties

Compound Name10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
PubChem CID59195940
Molecular FormulaC47H33NS
Molecular Weight643.86 g/mol
Exact Mass643.23
IUPAC Name10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4c5ccccc5Sc5ccccc54)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C47H33NS/c1-47(2)38-21-9-8-19-35(38)45-36(20-14-22-39(45)47)44-32-17-6-7-18-33(32)46(34-28-27-31(29-37(34)44)30-15-4-3-5-16-30)48-40-23-10-12-25-42(40)49-43-26-13-11-24-41(43)48/h3-29H,1-2H3
InChIKeyMQFVEKUFFWYSQW-UHFFFAOYSA-N
XLogP13.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.86
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
10-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]phenothiazine
CID 89002344
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
CID 59196124
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200

Frequently Asked Questions

What is the IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine?
The IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine (CID 59195940) is 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine.
What is the SMILES notation for 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine?
The canonical SMILES for 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4c5ccccc5Sc5ccccc54)c4ccc(-c5ccccc5)cc34)cccc21.
What is the InChIKey of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine?
The InChIKey is MQFVEKUFFWYSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS/c1-47(2)38-21-9-8-19-35(38)45-36(20-14-22-39(45)47)44-32-17-6-7-18-33(32)46(34-28-27-31(29-37(34)44)30-15-4-3-5-16-30)48-40-23-10-12-25-42(40)49-43-26-13-11-24-41(43)48/h3-29H,1-2H3.
What are the key properties of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine?
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine has a molecular weight of 643.86 g/mol, XLogP of 13.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine is sourced from PubChem (CID 59195940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).