9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

C55H35N3O2 — CID 167124844

IUPAC9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-12-36(13-5-1)37-20-25-42(26-21-37)57(44-29-31-50-46(35-44)45-18-10-11-19-49(45)58(50)41-16-8-3-9-17-41)43-27-22-38(23-28-43)40-24-32-51-47(34-40)53-52(59-51)33-30-48-54(53)60-55(56-48)39-14-6-2-7-15-39/h1-35H
InChIKeyVXGGVXBQHMUBTF-UHFFFAOYSA-N
MW769.90 g/mol
LogP15.30
Rot. Bonds7

About 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167124844) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID167124844
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-12-36(13-5-1)37-20-25-42(26-21-37)57(44-29-31-50-46(35-44)45-18-10-11-19-49(45)58(50)41-16-8-3-9-17-41)43-27-22-38(23-28-43)40-24-32-51-47(34-40)53-52(59-51)33-30-48-54(53)60-55(56-48)39-14-6-2-7-15-39/h1-35H
InChIKeyVXGGVXBQHMUBTF-UHFFFAOYSA-N
XLogP15.30
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124431
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125257
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 171410383

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (CID 167124844) is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is VXGGVXBQHMUBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-4-12-36(13-5-1)37-20-25-42(26-21-37)57(44-29-31-50-46(35-44)45-18-10-11-19-49(45)58(50)41-16-8-3-9-17-41)43-27-22-38(23-28-43)40-24-32-51-47(34-40)53-52(59-51)33-30-48-54(53)60-55(56-48)39-14-6-2-7-15-39/h1-35H.
What are the key properties of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 769.90 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167124844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).