9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine

C38H26N2O — CID 164778282

IUPAC9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2cccc(-c3ccc4c(c3)nc3n4-c4ccccc4CO3)c2)cc1
InChIInChI=1S/C38H26N2O/c1-3-11-26(12-4-1)32-18-10-19-33(27-13-5-2-6-14-27)37(32)30-17-9-16-28(23-30)29-21-22-36-34(24-29)39-38-40(36)35-20-8-7-15-31(35)25-41-38/h1-24H,25H2
InChIKeyVNFOXJYXHPHKFQ-UHFFFAOYSA-N
MW526.64 g/mol
LogP9.59
Rot. Bonds4

About 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine

9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine (PubChem CID 164778282) has the molecular formula C38H26N2O and a molecular weight of 526.64 g/mol. Its IUPAC name is 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
PubChem CID164778282
Molecular FormulaC38H26N2O
Molecular Weight526.64 g/mol
Exact Mass526.20
IUPAC Name9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2cccc(-c3ccc4c(c3)nc3n4-c4ccccc4CO3)c2)cc1
InChIInChI=1S/C38H26N2O/c1-3-11-26(12-4-1)32-18-10-19-33(27-13-5-2-6-14-27)37(32)30-17-9-16-28(23-30)29-21-22-36-34(24-29)39-38-40(36)35-20-8-7-15-31(35)25-41-38/h1-24H,25H2
InChIKeyVNFOXJYXHPHKFQ-UHFFFAOYSA-N
XLogP9.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778190
[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane
CID 165041569
3-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 164778105
[9-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)carbazol-3-yl]-triphenylsilane;10-carbazol-9-yl-5H-benzimidazolo[1,2-a][3,1]benzoxazine;10-(3-carbazol-9-ylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzoxazine;10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine
CID 165071676
10-[4-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-6H-benzo[c]chromene
CID 169281806
7-phenylisoindolo[2,3-a]benzimidazol-11-one
CID 23881857
6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
CID 170252814
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169281799
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
2-[4-(6H-benzo[c]chromen-10-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 169281865
10-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 164778402

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The IUPAC name of 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine (CID 164778282) is 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine.
What is the SMILES notation for 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The canonical SMILES for 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine is c1ccc(-c2cccc(-c3ccccc3)c2-c2cccc(-c3ccc4c(c3)nc3n4-c4ccccc4CO3)c2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
The InChIKey is VNFOXJYXHPHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O/c1-3-11-26(12-4-1)32-18-10-19-33(27-13-5-2-6-14-27)37(32)30-17-9-16-28(23-30)29-21-22-36-34(24-29)39-38-40(36)35-20-8-7-15-31(35)25-41-38/h1-24H,25H2.
What are the key properties of 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine?
9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine has a molecular weight of 526.64 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenylphenyl)phenyl]-5H-benzimidazolo[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 164778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).