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

C51H34N2OS — CID 134475783

IUPAC10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cccc6c5oc5ccccc56)ccc43)ccc21
InChIInChI=1S/C51H34N2OS/c1-51(2)40-16-6-3-12-34(40)38-30-33(24-25-41(38)51)52-42-17-7-4-13-35(42)39-28-31(22-26-43(39)52)32-23-27-45-49(29-32)55-48-21-10-8-18-44(48)53(45)46-19-11-15-37-36-14-5-9-20-47(36)54-50(37)46/h3-30H,1-2H3
InChIKeyNYASKHMNJQPTNL-UHFFFAOYSA-N
MW722.91 g/mol
LogP14.59
Rot. Bonds3

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

10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine (PubChem CID 134475783) has the molecular formula C51H34N2OS and a molecular weight of 722.91 g/mol. Its IUPAC name is 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine.

Molecular Properties

Compound Name10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
PubChem CID134475783
Molecular FormulaC51H34N2OS
Molecular Weight722.91 g/mol
Exact Mass722.24
IUPAC Name10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cccc6c5oc5ccccc56)ccc43)ccc21
InChIInChI=1S/C51H34N2OS/c1-51(2)40-16-6-3-12-34(40)38-30-33(24-25-41(38)51)52-42-17-7-4-13-35(42)39-28-31(22-26-43(39)52)32-23-27-45-49(29-32)55-48-21-10-8-18-44(48)53(45)46-19-11-15-37-36-14-5-9-20-47(36)54-50(37)46/h3-30H,1-2H3
InChIKeyNYASKHMNJQPTNL-UHFFFAOYSA-N
XLogP14.59
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
CID 134476211
9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine
CID 164975433
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenoxazine
CID 134476372
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
CID 90191421
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine?
The IUPAC name of 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine (CID 134475783) is 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine.
What is the SMILES notation for 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine?
The canonical SMILES for 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cccc6c5oc5ccccc56)ccc43)ccc21.
What is the InChIKey of 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine?
The InChIKey is NYASKHMNJQPTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2OS/c1-51(2)40-16-6-3-12-34(40)38-30-33(24-25-41(38)51)52-42-17-7-4-13-35(42)39-28-31(22-26-43(39)52)32-23-27-45-49(29-32)55-48-21-10-8-18-44(48)53(45)46-19-11-15-37-36-14-5-9-20-47(36)54-50(37)46/h3-30H,1-2H3.
What are the key properties of 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine?
10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine has a molecular weight of 722.91 g/mol, XLogP of 14.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine is sourced from PubChem (CID 134475783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).