2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

C70H38N10O4 — CID 155366793

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESc1cnc(-c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6cccc(-c7ccc8oc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12o%11)ccc9n%10-c9ccc%10nccnc%10c9)nc8c7)c6o5)ccc43)c2)nc1
InChIInChI=1S/C70H38N10O4/c1-3-14-62-53(11-1)75-67(81-62)41-16-23-58-48(33-41)51-36-44(19-26-59(51)79(58)45-9-5-8-40(32-45)66-73-28-7-29-74-66)70-77-55-13-6-10-47(65(55)84-70)39-20-27-64-57(37-39)78-69(83-64)43-18-25-61-50(35-43)49-34-42(68-76-54-12-2-4-15-63(54)82-68)17-24-60(49)80(61)46-21-22-52-56(38-46)72-31-30-71-52/h1-38H
InChIKeyBDNILYYSIGRSEN-UHFFFAOYSA-N
MW1083.14 g/mol
LogP17.18
Rot. Bonds8

About 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (PubChem CID 155366793) has the molecular formula C70H38N10O4 and a molecular weight of 1083.14 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
PubChem CID155366793
Molecular FormulaC70H38N10O4
Molecular Weight1083.14 g/mol
Exact Mass1082.31
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESc1cnc(-c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6cccc(-c7ccc8oc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12o%11)ccc9n%10-c9ccc%10nccnc%10c9)nc8c7)c6o5)ccc43)c2)nc1
InChIInChI=1S/C70H38N10O4/c1-3-14-62-53(11-1)75-67(81-62)41-16-23-58-48(33-41)51-36-44(19-26-59(51)79(58)45-9-5-8-40(32-45)66-73-28-7-29-74-66)70-77-55-13-6-10-47(65(55)84-70)39-20-27-64-57(37-39)78-69(83-64)43-18-25-61-50(35-43)49-34-42(68-76-54-12-2-4-15-63(54)82-68)17-24-60(49)80(61)46-21-22-52-56(38-46)72-31-30-71-52/h1-38H
InChIKeyBDNILYYSIGRSEN-UHFFFAOYSA-N
XLogP17.18
TPSA165.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.14
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (CID 155366793) is 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is c1cnc(-c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6cccc(-c7ccc8oc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12o%11)ccc9n%10-c9ccc%10nccnc%10c9)nc8c7)c6o5)ccc43)c2)nc1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The InChIKey is BDNILYYSIGRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38N10O4/c1-3-14-62-53(11-1)75-67(81-62)41-16-23-58-48(33-41)51-36-44(19-26-59(51)79(58)45-9-5-8-40(32-45)66-73-28-7-29-74-66)70-77-55-13-6-10-47(65(55)84-70)39-20-27-64-57(37-39)78-69(83-64)43-18-25-61-50(35-43)49-34-42(68-76-54-12-2-4-15-63(54)82-68)17-24-60(49)80(61)46-21-22-52-56(38-46)72-31-30-71-52/h1-38H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole has a molecular weight of 1083.14 g/mol, XLogP of 17.18, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-quinoxalin-6-ylcarbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).