2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole

C38H26N4O2 — CID 155108360

IUPAC2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole
SMILESC1=CC(c2nc3ccccc3o2)CC=C1N1c2ccccc2N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccccc21
InChIInChI=1S/C38H26N4O2/c1-7-15-35-29(9-1)39-37(43-35)25-17-21-27(22-18-25)41-31-11-3-5-13-33(31)42(34-14-6-4-12-32(34)41)28-23-19-26(20-24-28)38-40-30-10-2-8-16-36(30)44-38/h1-19,21-24,26H,20H2
InChIKeyXCVZRNLQUAPXNV-UHFFFAOYSA-N
MW570.65 g/mol
LogP10.18
Rot. Bonds4

About 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole

2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole (PubChem CID 155108360) has the molecular formula C38H26N4O2 and a molecular weight of 570.65 g/mol. Its IUPAC name is 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole
PubChem CID155108360
Molecular FormulaC38H26N4O2
Molecular Weight570.65 g/mol
Exact Mass570.21
IUPAC Name2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole
SMILESC1=CC(c2nc3ccccc3o2)CC=C1N1c2ccccc2N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccccc21
InChIInChI=1S/C38H26N4O2/c1-7-15-35-29(9-1)39-37(43-35)25-17-21-27(22-18-25)41-31-11-3-5-13-33(31)42(34-14-6-4-12-32(34)41)28-23-19-26(20-24-28)38-40-30-10-2-8-16-36(30)44-38/h1-19,21-24,26H,20H2
InChIKeyXCVZRNLQUAPXNV-UHFFFAOYSA-N
XLogP10.18
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole (CID 155108360) is 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole is C1=CC(c2nc3ccccc3o2)CC=C1N1c2ccccc2N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccccc21.
What is the InChIKey of 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole?
The InChIKey is XCVZRNLQUAPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O2/c1-7-15-35-29(9-1)39-37(43-35)25-17-21-27(22-18-25)41-31-11-3-5-13-33(31)42(34-14-6-4-12-32(34)41)28-23-19-26(20-24-28)38-40-30-10-2-8-16-36(30)44-38/h1-19,21-24,26H,20H2.
What are the key properties of 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole?
2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole has a molecular weight of 570.65 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]phenazin-5-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 155108360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).