4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine

C55H36N4O2 — CID 170247611

IUPAC4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3o2)cc1
InChIInChI=1S/C55H36N4O2/c1-5-17-37(18-6-1)55-56-54-50(58(39-21-9-3-10-22-39)42-30-32-52-47(34-42)45-26-14-16-28-51(45)60-52)35-43(36-53(54)61-55)57(38-19-7-2-8-20-38)41-29-31-49-46(33-41)44-25-13-15-27-48(44)59(49)40-23-11-4-12-24-40/h1-36H
InChIKeyQNEBHFLKALXMPH-UHFFFAOYSA-N
MW784.92 g/mol
LogP15.43
Rot. Bonds8

About 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine

4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine (PubChem CID 170247611) has the molecular formula C55H36N4O2 and a molecular weight of 784.92 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine
PubChem CID170247611
Molecular FormulaC55H36N4O2
Molecular Weight784.92 g/mol
Exact Mass784.28
IUPAC Name4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3o2)cc1
InChIInChI=1S/C55H36N4O2/c1-5-17-37(18-6-1)55-56-54-50(58(39-21-9-3-10-22-39)42-30-32-52-47(34-42)45-26-14-16-28-51(45)60-52)35-43(36-53(54)61-55)57(38-19-7-2-8-20-38)41-29-31-49-46(33-41)44-25-13-15-27-48(44)59(49)40-23-11-4-12-24-40/h1-36H
InChIKeyQNEBHFLKALXMPH-UHFFFAOYSA-N
XLogP15.43
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.92
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
CID 170247640
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
5-N-dibenzofuran-2-yl-2-naphthalen-2-yl-5-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-5,7-diamine
CID 170247843
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
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128330
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine (CID 170247611) is 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3o2)cc1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine?
The InChIKey is QNEBHFLKALXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O2/c1-5-17-37(18-6-1)55-56-54-50(58(39-21-9-3-10-22-39)42-30-32-52-47(34-42)45-26-14-16-28-51(45)60-52)35-43(36-53(54)61-55)57(38-19-7-2-8-20-38)41-29-31-49-46(33-41)44-25-13-15-27-48(44)59(49)40-23-11-4-12-24-40/h1-36H.
What are the key properties of 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine?
4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine has a molecular weight of 784.92 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine is sourced from PubChem (CID 170247611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).