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

C147H97N11O4 — CID 162206431

IUPAC2-[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
SMILESCc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3c3cc(-c4cccc(-c5nc6ccccc6o5)c4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)cc3c3cc(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C57H39N5.2C45H29N3O2/c1-38-28-32-43(33-29-38)60-52-34-30-39(44-20-8-10-22-46(44)56-58-50-24-12-14-26-54(50)61(56)41-16-4-2-5-17-41)36-48(52)49-37-40(31-35-53(49)60)45-21-9-11-23-47(45)57-59-51-25-13-15-27-55(51)62(57)42-18-6-3-7-19-42;1-28-16-20-35(21-17-28)48-40-22-18-31(29-8-6-10-33(24-29)44-46-38-12-2-4-14-42(38)49-44)26-36(40)37-27-32(19-23-41(37)48)30-9-7-11-34(25-30)45-47-39-13-3-5-15-43(39)50-45;1-28-10-22-35(23-11-28)48-40-24-20-33(29-12-16-31(17-13-29)44-46-38-6-2-4-8-42(38)49-44)26-36(40)37-27-34(21-25-41(37)48)30-14-18-32(19-15-30)45-47-39-7-3-5-9-43(39)50-45/h2-37H,1H3;2*2-27H,1H3
InChIKeyZSGFOAUJBRFFAU-UHFFFAOYSA-N
MW2081.47 g/mol
LogP38.52
Rot. Bonds17

About 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

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 (PubChem CID 162206431) has the molecular formula C147H97N11O4 and a molecular weight of 2081.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162206431
Molecular FormulaC147H97N11O4
Molecular Weight2081.47 g/mol
Exact Mass2079.77
IUPAC Name2-[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
SMILESCc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3c3cc(-c4cccc(-c5nc6ccccc6o5)c4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)cc3c3cc(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)ccc32)cc1
InChIInChI=1S/C57H39N5.2C45H29N3O2/c1-38-28-32-43(33-29-38)60-52-34-30-39(44-20-8-10-22-46(44)56-58-50-24-12-14-26-54(50)61(56)41-16-4-2-5-17-41)36-48(52)49-37-40(31-35-53(49)60)45-21-9-11-23-47(45)57-59-51-25-13-15-27-55(51)62(57)42-18-6-3-7-19-42;1-28-16-20-35(21-17-28)48-40-22-18-31(29-8-6-10-33(24-29)44-46-38-12-2-4-14-42(38)49-44)26-36(40)37-27-32(19-23-41(37)48)30-9-7-11-34(25-30)45-47-39-13-3-5-15-43(39)50-45;1-28-10-22-35(23-11-28)48-40-24-20-33(29-12-16-31(17-13-29)44-46-38-6-2-4-8-42(38)49-44)26-36(40)37-27-34(21-25-41(37)48)30-14-18-32(19-15-30)45-47-39-7-3-5-9-43(39)50-45/h2-37H,1H3;2*2-27H,1H3
InChIKeyZSGFOAUJBRFFAU-UHFFFAOYSA-N
XLogP38.52
TPSA154.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.47
LogP ≤ 538.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
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
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[3-(1,3-benzoxazol-2-yl)-5-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole;3-[2-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole;9-phenyl-3-[2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;N-phenyl-N-[4-[2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]naphthalen-1-amine
CID 162176172

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3c3cc(-c4cccc(-c5nc6ccccc6o5)c4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)cc3c3cc(-c4ccccc4-c4nc5ccccc5n4-c4ccccc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is ZSGFOAUJBRFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5.2C45H29N3O2/c1-38-28-32-43(33-29-38)60-52-34-30-39(44-20-8-10-22-46(44)56-58-50-24-12-14-26-54(50)61(56)41-16-4-2-5-17-41)36-48(52)49-37-40(31-35-53(49)60)45-21-9-11-23-47(45)57-59-51-25-13-15-27-55(51)62(57)42-18-6-3-7-19-42;1-28-16-20-35(21-17-28)48-40-22-18-31(29-8-6-10-33(24-29)44-46-38-12-2-4-14-42(38)49-44)26-36(40)37-27-32(19-23-41(37)48)30-9-7-11-34(25-30)45-47-39-13-3-5-15-43(39)50-45;1-28-10-22-35(23-11-28)48-40-24-20-33(29-12-16-31(17-13-29)44-46-38-6-2-4-8-42(38)49-44)26-36(40)37-27-34(21-25-41(37)48)30-14-18-32(19-15-30)45-47-39-7-3-5-9-43(39)50-45/h2-37H,1H3;2*2-27H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2081.47 g/mol, XLogP of 38.52, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162206431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).