2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole

C50H30N4O2 — CID 155366571

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccc(-c7nc8ccccc8o7)cc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cc32)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-35(11-3-1)54-43-15-7-4-12-37(43)38-25-20-32(30-46(38)54)31-18-23-36(24-19-31)53-44-26-21-33(49-51-41-13-5-8-16-47(41)55-49)28-39(44)40-29-34(22-27-45(40)53)50-52-42-14-6-9-17-48(42)56-50/h1-30H
InChIKeyFIGNNZYWRGAYPO-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.16
Rot. Bonds5

About 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 155366571) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
PubChem CID155366571
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccc(-c7nc8ccccc8o7)cc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cc32)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-35(11-3-1)54-43-15-7-4-12-37(43)38-25-20-32(30-46(38)54)31-18-23-36(24-19-31)53-44-26-21-33(49-51-41-13-5-8-16-47(41)55-49)28-39(44)40-29-34(22-27-45(40)53)50-52-42-14-6-9-17-48(42)56-50/h1-30H
InChIKeyFIGNNZYWRGAYPO-UHFFFAOYSA-N
XLogP13.16
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole (CID 155366571) is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccc(-c7nc8ccccc8o7)cc6c6cc(-c7nc8ccccc8o7)ccc65)cc4)cc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is FIGNNZYWRGAYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-2-10-35(11-3-1)54-43-15-7-4-12-37(43)38-25-20-32(30-46(38)54)31-18-23-36(24-19-31)53-44-26-21-33(49-51-41-13-5-8-16-47(41)55-49)28-39(44)40-29-34(22-27-45(40)53)50-52-42-14-6-9-17-48(42)56-50/h1-30H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 718.82 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).