10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine

C35H26N2S — CID 121275039

IUPAC10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine
SMILESCC1(C)c2ccccc2-c2c1c1cc(N3c4ccccc4Sc4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C35H26N2S/c1-35(2)27-15-7-6-14-25(27)34-33(35)26-22-24(20-21-28(26)37(34)23-12-4-3-5-13-23)36-29-16-8-10-18-31(29)38-32-19-11-9-17-30(32)36/h3-22H,1-2H3
InChIKeyGDCDLXKJPHSOOS-UHFFFAOYSA-N
MW506.67 g/mol
LogP9.87
Rot. Bonds2

About 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine

10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine (PubChem CID 121275039) has the molecular formula C35H26N2S and a molecular weight of 506.67 g/mol. Its IUPAC name is 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine.

Molecular Properties

Compound Name10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine
PubChem CID121275039
Molecular FormulaC35H26N2S
Molecular Weight506.67 g/mol
Exact Mass506.18
IUPAC Name10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine
SMILESCC1(C)c2ccccc2-c2c1c1cc(N3c4ccccc4Sc4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C35H26N2S/c1-35(2)27-15-7-6-14-25(27)34-33(35)26-22-24(20-21-28(26)37(34)23-12-4-3-5-13-23)36-29-16-8-10-18-31(29)38-32-19-11-9-17-30(32)36/h3-22H,1-2H3
InChIKeyGDCDLXKJPHSOOS-UHFFFAOYSA-N
XLogP9.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
CID 121274988
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
CID 142288659
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
10-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-2-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220851
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733

Frequently Asked Questions

What is the IUPAC name of 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine?
The IUPAC name of 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine (CID 121275039) is 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine.
What is the SMILES notation for 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine?
The canonical SMILES for 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine is CC1(C)c2ccccc2-c2c1c1cc(N3c4ccccc4Sc4ccccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine?
The InChIKey is GDCDLXKJPHSOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2S/c1-35(2)27-15-7-6-14-25(27)34-33(35)26-22-24(20-21-28(26)37(34)23-12-4-3-5-13-23)36-29-16-8-10-18-31(29)38-32-19-11-9-17-30(32)36/h3-22H,1-2H3.
What are the key properties of 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine?
10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine has a molecular weight of 506.67 g/mol, XLogP of 9.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenothiazine is sourced from PubChem (CID 121275039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).