10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine

C168H105N21OS2 — CID 159009805

IUPAC10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)c(N4c5ccccc5Oc5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(N4c5ccccc5Sc5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5cccnc5c5ncccc54)c(N4c5ccccc5Sc5ccccc54)c(-n4c5cccnc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5O.C56H35N7S.C54H33N9S/c1-3-19-38(20-4-1)45-37-46(60-58(59-45)39-21-5-2-6-22-39)40-35-53(61-47-27-11-7-23-41(47)42-24-8-12-28-48(42)61)57(63-51-31-15-17-33-55(51)64-56-34-18-16-32-52(56)63)54(36-40)62-49-29-13-9-25-43(49)44-26-10-14-30-50(44)62;1-3-17-36(18-4-1)41-35-42(60-56(59-41)37-19-5-2-6-20-37)38-33-49(61-43-23-9-7-21-39(43)53-47(61)27-15-31-57-53)55(63-45-25-11-13-29-51(45)64-52-30-14-12-26-46(52)63)50(34-38)62-44-24-10-8-22-40(44)54-48(62)28-16-32-58-54;1-3-15-34(16-4-1)37-33-38(60-54(59-37)35-17-5-2-6-18-35)36-31-45(61-41-21-11-27-55-49(41)50-42(61)22-12-28-56-50)53(63-39-19-7-9-25-47(39)64-48-26-10-8-20-40(48)63)46(32-36)62-43-23-13-29-57-51(43)52-44(62)24-14-30-58-52/h1-37H;1-35H;1-33H
InChIKeyJSINAHKNOFSFIB-UHFFFAOYSA-N
MW2497.97 g/mol
LogP42.83
Rot. Bonds18

About 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine

10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine (PubChem CID 159009805) has the molecular formula C168H105N21OS2 and a molecular weight of 2497.97 g/mol. Its IUPAC name is 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine
PubChem CID159009805
Molecular FormulaC168H105N21OS2
Molecular Weight2497.97 g/mol
Exact Mass2495.83
IUPAC Name10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)c(N4c5ccccc5Oc5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(N4c5ccccc5Sc5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5cccnc5c5ncccc54)c(N4c5ccccc5Sc5ccccc54)c(-n4c5cccnc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5O.C56H35N7S.C54H33N9S/c1-3-19-38(20-4-1)45-37-46(60-58(59-45)39-21-5-2-6-22-39)40-35-53(61-47-27-11-7-23-41(47)42-24-8-12-28-48(42)61)57(63-51-31-15-17-33-55(51)64-56-34-18-16-32-52(56)63)54(36-40)62-49-29-13-9-25-43(49)44-26-10-14-30-50(44)62;1-3-17-36(18-4-1)41-35-42(60-56(59-41)37-19-5-2-6-20-37)38-33-49(61-43-23-9-7-21-39(43)53-47(61)27-15-31-57-53)55(63-45-25-11-13-29-51(45)64-52-30-14-12-26-46(52)63)50(34-38)62-44-24-10-8-22-40(44)54-48(62)28-16-32-58-54;1-3-15-34(16-4-1)37-33-38(60-54(59-37)35-17-5-2-6-18-35)36-31-45(61-41-21-11-27-55-49(41)50-42(61)22-12-28-56-50)53(63-39-19-7-9-25-47(39)64-48-26-10-8-20-40(48)63)46(32-36)62-43-23-13-29-57-51(43)52-44(62)24-14-30-58-52/h1-37H;1-35H;1-33H
InChIKeyJSINAHKNOFSFIB-UHFFFAOYSA-N
XLogP42.83
TPSA203.21 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002497.97
LogP ≤ 542.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine?
The IUPAC name of 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine (CID 159009805) is 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)c(N4c5ccccc5Oc5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(N4c5ccccc5Sc5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5cccnc5c5ncccc54)c(N4c5ccccc5Sc5ccccc54)c(-n4c5cccnc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine?
The InChIKey is JSINAHKNOFSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5O.C56H35N7S.C54H33N9S/c1-3-19-38(20-4-1)45-37-46(60-58(59-45)39-21-5-2-6-22-39)40-35-53(61-47-27-11-7-23-41(47)42-24-8-12-28-48(42)61)57(63-51-31-15-17-33-55(51)64-56-34-18-16-32-52(56)63)54(36-40)62-49-29-13-9-25-43(49)44-26-10-14-30-50(44)62;1-3-17-36(18-4-1)41-35-42(60-56(59-41)37-19-5-2-6-20-37)38-33-49(61-43-23-9-7-21-39(43)53-47(61)27-15-31-57-53)55(63-45-25-11-13-29-51(45)64-52-30-14-12-26-46(52)63)50(34-38)62-44-24-10-8-22-40(44)54-48(62)28-16-32-58-54;1-3-15-34(16-4-1)37-33-38(60-54(59-37)35-17-5-2-6-18-35)36-31-45(61-41-21-11-27-55-49(41)50-42(61)22-12-28-56-50)53(63-39-19-7-9-25-47(39)64-48-26-10-8-20-40(48)63)46(32-36)62-43-23-13-29-57-51(43)52-44(62)24-14-30-58-52/h1-37H;1-35H;1-33H.
What are the key properties of 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine?
10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine has a molecular weight of 2497.97 g/mol, XLogP of 42.83, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,6-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenothiazine;10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenothiazine is sourced from PubChem (CID 159009805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).