CID 159924052

C267H155N13O5S — CID 159924052

IUPAC—
SMILESCC1(C)c2cc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.c1ccc(-n2c3cc(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)ccc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc(-n2c3cc(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)ccc3c3ccc4sc5ccccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)c23)cc1
InChIInChI=1S/C69H43N3O.C66H38N4O.C66H37N3O2.C66H37N3OS/c1-67(2)56-35-40(30-31-46(56)48-32-33-49-47-22-9-14-28-60(47)72(66(49)63(48)67)42-17-4-3-5-18-42)41-36-59-65(71-39-41)64-55(27-16-34-70-64)69(59)54-26-13-15-29-61(54)73-62-38-57-50(37-58(62)69)45-21-8-12-25-53(45)68(57)51-23-10-6-19-43(51)44-20-7-11-24-52(44)68;1-2-17-39(18-3-1)69-57-30-14-8-23-46(57)61-58(69)33-32-45-44-22-7-13-29-56(44)70(64(45)61)40-35-55-63(68-38-40)62-52(28-16-34-67-62)66(55)51-27-12-15-31-59(51)71-60-37-53-47(36-54(60)66)43-21-6-11-26-50(43)65(53)48-24-9-4-19-41(48)42-20-5-10-25-49(42)65;1-2-15-40(16-3-1)69-57-34-38(28-29-44(57)46-30-31-47-45-20-7-12-26-58(45)71-64(47)63(46)69)39-33-56-62(68-37-39)61-53(25-14-32-67-61)66(56)52-24-11-13-27-59(52)70-60-36-54-48(35-55(60)66)43-19-6-10-23-51(43)65(54)49-21-8-4-17-41(49)42-18-5-9-22-50(42)65;1-2-15-40(16-3-1)69-56-34-38(28-29-44(56)45-30-31-60-61(64(45)69)46-20-7-13-27-59(46)71-60)39-33-55-63(68-37-39)62-52(25-14-32-67-62)66(55)51-24-11-12-26-57(51)70-58-36-53-47(35-54(58)66)43-19-6-10-23-50(43)65(53)48-21-8-4-17-41(48)42-18-5-9-22-49(42)65/h3-39H,1-2H3;1-38H;2*1-37H
InChIKeyNYTXTYYNHIPMON-UHFFFAOYSA-N
MW3657.33 g/mol
LogP64.22
Rot. Bonds8

About CID 159924052

CID 159924052 (PubChem CID 159924052) has the molecular formula C267H155N13O5S and a molecular weight of 3657.33 g/mol.

Molecular Properties

Compound NameCID 159924052
PubChem CID159924052
Molecular FormulaC267H155N13O5S
Molecular Weight3657.33 g/mol
Exact Mass3654.20
IUPAC Name—
SMILESCC1(C)c2cc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.c1ccc(-n2c3cc(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)ccc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc(-n2c3cc(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)ccc3c3ccc4sc5ccccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)c23)cc1
InChIInChI=1S/C69H43N3O.C66H38N4O.C66H37N3O2.C66H37N3OS/c1-67(2)56-35-40(30-31-46(56)48-32-33-49-47-22-9-14-28-60(47)72(66(49)63(48)67)42-17-4-3-5-18-42)41-36-59-65(71-39-41)64-55(27-16-34-70-64)69(59)54-26-13-15-29-61(54)73-62-38-57-50(37-58(62)69)45-21-8-12-25-53(45)68(57)51-23-10-6-19-43(51)44-20-7-11-24-52(44)68;1-2-17-39(18-3-1)69-57-30-14-8-23-46(57)61-58(69)33-32-45-44-22-7-13-29-56(44)70(64(45)61)40-35-55-63(68-38-40)62-52(28-16-34-67-62)66(55)51-27-12-15-31-59(51)71-60-37-53-47(36-54(60)66)43-21-6-11-26-50(43)65(53)48-24-9-4-19-41(48)42-20-5-10-25-49(42)65;1-2-15-40(16-3-1)69-57-34-38(28-29-44(57)46-30-31-47-45-20-7-12-26-58(45)71-64(47)63(46)69)39-33-56-62(68-37-39)61-53(25-14-32-67-61)66(56)52-24-11-13-27-59(52)70-60-36-54-48(35-55(60)66)43-19-6-10-23-51(43)65(54)49-21-8-4-17-41(49)42-18-5-9-22-50(42)65;1-2-15-40(16-3-1)69-56-34-38(28-29-44(56)45-30-31-60-61(64(45)69)46-20-7-13-27-59(46)71-60)39-33-55-63(68-37-39)62-52(25-14-32-67-62)66(55)51-24-11-12-26-57(51)70-58-36-53-47(35-54(58)66)43-19-6-10-23-50(43)65(53)48-21-8-4-17-41(48)42-18-5-9-22-49(42)65/h3-39H,1-2H3;1-38H;2*1-37H
InChIKeyNYTXTYYNHIPMON-UHFFFAOYSA-N
XLogP64.22
TPSA177.83 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003657.33
LogP ≤ 564.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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Related Compounds

CID 159950207
CID 159950207
CID 157153327
CID 157153327
11-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;5-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 161307539
3'-carbazol-9-yl-5-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656046
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane;[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane;[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane;[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane;[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane;[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane;diphenyl-(9-phenylcarbazol-4-yl)-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane;diphenyl-(9-phenylcarbazol-4-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane
CID 159868158
3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 160865913
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 159745382
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
1-[4-(2-dibenzofuran-2-yl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-(6-dibenzothiophen-1-yl-9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-phenyl-5-(9-phenylcarbazol-4-yl)-2-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 164989598
12-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 158409057

Frequently Asked Questions

What is the IUPAC name of CID 159924052?
The IUPAC name of CID 159924052 (CID 159924052) is not available.
What is the SMILES notation for CID 159924052?
The canonical SMILES for CID 159924052 is CC1(C)c2cc(-c3cnc4c(c3)C3(c5ccccc5Oc5cc6c(cc53)-c3ccccc3C63c5ccccc5-c5ccccc53)c3cccnc3-4)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.c1ccc(-n2c3cc(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)ccc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc(-n2c3cc(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)ccc3c3ccc4sc5ccccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cnc5c(c4)C4(c6ccccc6Oc6cc7c(cc64)-c4ccccc4C74c6ccccc6-c6ccccc64)c4cccnc4-5)c23)cc1.
What is the InChIKey of CID 159924052?
The InChIKey is NYTXTYYNHIPMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N3O.C66H38N4O.C66H37N3O2.C66H37N3OS/c1-67(2)56-35-40(30-31-46(56)48-32-33-49-47-22-9-14-28-60(47)72(66(49)63(48)67)42-17-4-3-5-18-42)41-36-59-65(71-39-41)64-55(27-16-34-70-64)69(59)54-26-13-15-29-61(54)73-62-38-57-50(37-58(62)69)45-21-8-12-25-53(45)68(57)51-23-10-6-19-43(51)44-20-7-11-24-52(44)68;1-2-17-39(18-3-1)69-57-30-14-8-23-46(57)61-58(69)33-32-45-44-22-7-13-29-56(44)70(64(45)61)40-35-55-63(68-38-40)62-52(28-16-34-67-62)66(55)51-27-12-15-31-59(51)71-60-37-53-47(36-54(60)66)43-21-6-11-26-50(43)65(53)48-24-9-4-19-41(48)42-20-5-10-25-49(42)65;1-2-15-40(16-3-1)69-57-34-38(28-29-44(57)46-30-31-47-45-20-7-12-26-58(45)71-64(47)63(46)69)39-33-56-62(68-37-39)61-53(25-14-32-67-61)66(56)52-24-11-13-27-59(52)70-60-36-54-48(35-55(60)66)43-19-6-10-23-51(43)65(54)49-21-8-4-17-41(49)42-18-5-9-22-50(42)65;1-2-15-40(16-3-1)69-56-34-38(28-29-44(56)45-30-31-60-61(64(45)69)46-20-7-13-27-59(46)71-60)39-33-55-63(68-37-39)62-52(25-14-32-67-62)66(55)51-24-11-12-26-57(51)70-58-36-53-47(35-54(58)66)43-19-6-10-23-50(43)65(53)48-21-8-4-17-41(48)42-18-5-9-22-49(42)65/h3-39H,1-2H3;1-38H;2*1-37H.
What are the key properties of CID 159924052?
CID 159924052 has a molecular weight of 3657.33 g/mol, XLogP of 64.22, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159924052 is sourced from PubChem (CID 159924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).