2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole

C151H91N15O4S2 — CID 160563783

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccc(-c8ccc9ccccc9c8)cc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C55H33N5OS.C51H31N5OS.C45H27N5O2/c1-2-12-41(13-3-1)60-50-16-8-6-14-45(50)56-53(60)35-20-25-42(26-21-35)59-48-28-23-39(31-43(48)44-32-40(24-29-49(44)59)55-58-47-15-7-9-17-52(47)62-55)54-57-46-27-22-38(33-51(46)61-54)37-19-18-34-10-4-5-11-36(34)30-37;1-3-11-32(12-4-1)34-21-26-42-47(31-34)57-50(53-42)35-22-27-44-39(29-35)40-30-36(51-54-43-16-8-10-18-48(43)58-51)23-28-45(40)55(44)38-24-19-33(20-25-38)49-52-41-15-7-9-17-46(41)56(49)37-13-5-2-6-14-37;1-2-10-31(11-3-1)50-40-15-7-4-12-35(40)46-43(50)28-18-22-32(23-19-28)49-38-24-20-29(44-47-36-13-5-8-16-41(36)51-44)26-33(38)34-27-30(21-25-39(34)49)45-48-37-14-6-9-17-42(37)52-45/h1-33H;1-31H;1-27H
InChIKeyQZQSDWVCAMJHEC-UHFFFAOYSA-N
MW2243.62 g/mol
LogP39.64
Rot. Bonds17

About 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 160563783) has the molecular formula C151H91N15O4S2 and a molecular weight of 2243.62 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
PubChem CID160563783
Molecular FormulaC151H91N15O4S2
Molecular Weight2243.62 g/mol
Exact Mass2241.68
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccc(-c8ccc9ccccc9c8)cc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C55H33N5OS.C51H31N5OS.C45H27N5O2/c1-2-12-41(13-3-1)60-50-16-8-6-14-45(50)56-53(60)35-20-25-42(26-21-35)59-48-28-23-39(31-43(48)44-32-40(24-29-49(44)59)55-58-47-15-7-9-17-52(47)62-55)54-57-46-27-22-38(33-51(46)61-54)37-19-18-34-10-4-5-11-36(34)30-37;1-3-11-32(12-4-1)34-21-26-42-47(31-34)57-50(53-42)35-22-27-44-39(29-35)40-30-36(51-54-43-16-8-10-18-48(43)58-51)23-28-45(40)55(44)38-24-19-33(20-25-38)49-52-41-15-7-9-17-46(41)56(49)37-13-5-2-6-14-37;1-2-10-31(11-3-1)50-40-15-7-4-12-35(40)46-43(50)28-18-22-32(23-19-28)49-38-24-20-29(44-47-36-13-5-8-16-41(36)51-44)26-33(38)34-27-30(21-25-39(34)49)45-48-37-14-6-9-17-42(37)52-45/h1-33H;1-31H;1-27H
InChIKeyQZQSDWVCAMJHEC-UHFFFAOYSA-N
XLogP39.64
TPSA198.15 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002243.62
LogP ≤ 539.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 159372469
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;9-(4-methylphenyl)-3,6-bis[2-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 162206431
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzothiazole;2-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-1,3-benzoxazole;6,10-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthridine;methane
CID 159000306
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
6-[3-[6-[2-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-2-[3-[9-(4-methylphenyl)-6-phenylcarbazol-3-yl]phenyl]-1,3-benzoxazole
CID 134331855

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (CID 160563783) is 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccc(-c8ccc9ccccc9c8)cc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is QZQSDWVCAMJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5OS.C51H31N5OS.C45H27N5O2/c1-2-12-41(13-3-1)60-50-16-8-6-14-45(50)56-53(60)35-20-25-42(26-21-35)59-48-28-23-39(31-43(48)44-32-40(24-29-49(44)59)55-58-47-15-7-9-17-52(47)62-55)54-57-46-27-22-38(33-51(46)61-54)37-19-18-34-10-4-5-11-36(34)30-37;1-3-11-32(12-4-1)34-21-26-42-47(31-34)57-50(53-42)35-22-27-44-39(29-35)40-30-36(51-54-43-16-8-10-18-48(43)58-51)23-28-45(40)55(44)38-24-19-33(20-25-38)49-52-41-15-7-9-17-46(41)56(49)37-13-5-2-6-14-37;1-2-10-31(11-3-1)50-40-15-7-4-12-35(40)46-43(50)28-18-22-32(23-19-28)49-38-24-20-29(44-47-36-13-5-8-16-41(36)51-44)26-33(38)34-27-30(21-25-39(34)49)45-48-37-14-6-9-17-42(37)52-45/h1-33H;1-31H;1-27H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 2243.62 g/mol, XLogP of 39.64, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 160563783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).