10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine

C49H33NS — CID 155153839

IUPAC10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
SMILESc1ccc(-c2cccc3c2-c2ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H33NS/c1-4-15-35(16-5-1)40-21-14-22-42-48(40)41-32-29-36(33-43(41)49(42,37-17-6-2-7-18-37)38-19-8-3-9-20-38)34-27-30-39(31-28-34)50-44-23-10-12-25-46(44)51-47-26-13-11-24-45(47)50/h1-33H
InChIKeyIAAVCXLQXJWBDT-UHFFFAOYSA-N
MW667.88 g/mol
LogP13.32
Rot. Bonds5

About 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine

10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine (PubChem CID 155153839) has the molecular formula C49H33NS and a molecular weight of 667.88 g/mol. Its IUPAC name is 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
PubChem CID155153839
Molecular FormulaC49H33NS
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC Name10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
SMILESc1ccc(-c2cccc3c2-c2ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H33NS/c1-4-15-35(16-5-1)40-21-14-22-42-48(40)41-32-29-36(33-43(41)49(42,37-17-6-2-7-18-37)38-19-8-3-9-20-38)34-27-30-39(31-28-34)50-44-23-10-12-25-46(44)51-47-26-13-11-24-45(47)50/h1-33H
InChIKeyIAAVCXLQXJWBDT-UHFFFAOYSA-N
XLogP13.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 158194308
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine
CID 118668309
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 161377030
2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 155153866
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane
CID 144938868

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine?
The IUPAC name of 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine (CID 155153839) is 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine is c1ccc(-c2cccc3c2-c2ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine?
The InChIKey is IAAVCXLQXJWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NS/c1-4-15-35(16-5-1)40-21-14-22-42-48(40)41-32-29-36(33-43(41)49(42,37-17-6-2-7-18-37)38-19-8-3-9-20-38)34-27-30-39(31-28-34)50-44-23-10-12-25-46(44)51-47-26-13-11-24-45(47)50/h1-33H.
What are the key properties of 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine?
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine has a molecular weight of 667.88 g/mol, XLogP of 13.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine is sourced from PubChem (CID 155153839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).