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

C76H50N4O2 — CID 134331855

IUPAC6-[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
SMILESCc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5nc6ccc(-c7cccc(-c8ccc9c(c8)c8cc(-c%10ccccc%10-c%10nc%11ccccc%11o%10)ccc8n9-c8ccc(C)cc8)c7)cc6o5)c4)ccc32)cc1
InChIInChI=1S/C76H50N4O2/c1-47-22-31-59(32-23-47)79-69-36-27-53(49-12-4-3-5-13-49)42-63(69)64-44-55(29-38-70(64)79)52-16-11-17-58(41-52)75-77-68-35-26-56(46-74(68)82-75)51-15-10-14-50(40-51)54-28-37-71-65(43-54)66-45-57(30-39-72(66)80(71)60-33-24-48(2)25-34-60)61-18-6-7-19-62(61)76-78-67-20-8-9-21-73(67)81-76/h3-46H,1-2H3
InChIKeyCECAEKOJJYXPKG-UHFFFAOYSA-N
MW1051.26 g/mol
LogP20.45
Rot. Bonds9

About 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

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 (PubChem CID 134331855) has the molecular formula C76H50N4O2 and a molecular weight of 1051.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID134331855
Molecular FormulaC76H50N4O2
Molecular Weight1051.26 g/mol
Exact Mass1050.39
IUPAC Name6-[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
SMILESCc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5nc6ccc(-c7cccc(-c8ccc9c(c8)c8cc(-c%10ccccc%10-c%10nc%11ccccc%11o%10)ccc8n9-c8ccc(C)cc8)c7)cc6o5)c4)ccc32)cc1
InChIInChI=1S/C76H50N4O2/c1-47-22-31-59(32-23-47)79-69-36-27-53(49-12-4-3-5-13-49)42-63(69)64-44-55(29-38-70(64)79)52-16-11-17-58(41-52)75-77-68-35-26-56(46-74(68)82-75)51-15-10-14-50(40-51)54-28-37-71-65(43-54)66-45-57(30-39-72(66)80(71)60-33-24-48(2)25-34-60)61-18-6-7-19-62(61)76-78-67-20-8-9-21-73(67)81-76/h3-46H,1-2H3
InChIKeyCECAEKOJJYXPKG-UHFFFAOYSA-N
XLogP20.45
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.26
LogP ≤ 520.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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-[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-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[6,9-bis(1,3-benzoxazol-2-yl)carbazol-3-yl]-6-(4-phenylphenyl)-1,3-benzoxazole
CID 155366238
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
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-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5nc6ccc(-c7cccc(-c8ccc9c(c8)c8cc(-c%10ccccc%10-c%10nc%11ccccc%11o%10)ccc8n9-c8ccc(C)cc8)c7)cc6o5)c4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is CECAEKOJJYXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4O2/c1-47-22-31-59(32-23-47)79-69-36-27-53(49-12-4-3-5-13-49)42-63(69)64-44-55(29-38-70(64)79)52-16-11-17-58(41-52)75-77-68-35-26-56(46-74(68)82-75)51-15-10-14-50(40-51)54-28-37-71-65(43-54)66-45-57(30-39-72(66)80(71)60-33-24-48(2)25-34-60)61-18-6-7-19-62(61)76-78-67-20-8-9-21-73(67)81-76/h3-46H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1051.26 g/mol, XLogP of 20.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134331855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).