2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole

C53H32N6O — CID 138539192

IUPAC2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6oc7ccccc7n56)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C53H32N6O/c1-3-15-33(16-4-1)49-39-21-7-10-22-42(39)54-52(55-49)58-44-24-12-9-20-38(44)41-32-35(28-30-46(41)58)51-50(56-53-59(51)47-25-13-14-26-48(47)60-53)34-27-29-45-40(31-34)37-19-8-11-23-43(37)57(45)36-17-5-2-6-18-36/h1-32H
InChIKeyMODZUPDLBPPFGM-UHFFFAOYSA-N
MW768.88 g/mol
LogP13.22
Rot. Bonds5

About 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole

2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole (PubChem CID 138539192) has the molecular formula C53H32N6O and a molecular weight of 768.88 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
PubChem CID138539192
Molecular FormulaC53H32N6O
Molecular Weight768.88 g/mol
Exact Mass768.26
IUPAC Name2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6oc7ccccc7n56)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C53H32N6O/c1-3-15-33(16-4-1)49-39-21-7-10-22-42(39)54-52(55-49)58-44-24-12-9-20-38(44)41-32-35(28-30-46(41)58)51-50(56-53-59(51)47-25-13-14-26-48(47)60-53)34-27-29-45-40(31-34)37-19-8-11-23-43(37)57(45)36-17-5-2-6-18-36/h1-32H
InChIKeyMODZUPDLBPPFGM-UHFFFAOYSA-N
XLogP13.22
TPSA66.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539105
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole (CID 138539192) is 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6oc7ccccc7n56)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is MODZUPDLBPPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6O/c1-3-15-33(16-4-1)49-39-21-7-10-22-42(39)54-52(55-49)58-44-24-12-9-20-38(44)41-32-35(28-30-46(41)58)51-50(56-53-59(51)47-25-13-14-26-48(47)60-53)34-27-29-45-40(31-34)37-19-8-11-23-43(37)57(45)36-17-5-2-6-18-36/h1-32H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole?
2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 768.88 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 138539192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).