N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine

C57H37N3O — CID 177112575

IUPACN,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(N(c5ccccc5)c5ccc6c(-c7ccccc7)cc7ccc8nc(-c9ccccc9)oc8c7c6c5)c43)cc2)cc1
InChIInChI=1S/C57H37N3O/c1-5-16-38(17-6-1)39-28-31-44(32-29-39)60-52-26-14-13-24-47(52)48-25-15-27-53(55(48)60)59(43-22-11-4-12-23-43)45-33-34-46-49(40-18-7-2-8-19-40)36-42-30-35-51-56(54(42)50(46)37-45)61-57(58-51)41-20-9-3-10-21-41/h1-37H
InChIKeyFKBDVFNZJVPFCJ-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.70
Rot. Bonds7

About N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine

N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177112575) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID177112575
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC NameN,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(N(c5ccccc5)c5ccc6c(-c7ccccc7)cc7ccc8nc(-c9ccccc9)oc8c7c6c5)c43)cc2)cc1
InChIInChI=1S/C57H37N3O/c1-5-16-38(17-6-1)39-28-31-44(32-29-39)60-52-26-14-13-24-47(52)48-25-15-27-53(55(48)60)59(43-22-11-4-12-23-43)45-33-34-46-49(40-18-7-2-8-19-40)36-42-30-35-51-56(54(42)50(46)37-45)61-57(58-51)41-20-9-3-10-21-41/h1-37H
InChIKeyFKBDVFNZJVPFCJ-UHFFFAOYSA-N
XLogP15.70
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-diphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112808
N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
1-N-[3-carbazol-9-yl-5-(N-phenylanilino)phenyl]-3-N,3-N,4-triphenyl-1-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171416962
N,2-diphenyl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112677
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112501
N-(4-naphthalen-2-ylphenyl)-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112892
N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112662
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125219
N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine
CID 176631204
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
CID 167128927

Frequently Asked Questions

What is the IUPAC name of N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177112575) is N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(N(c5ccccc5)c5ccc6c(-c7ccccc7)cc7ccc8nc(-c9ccccc9)oc8c7c6c5)c43)cc2)cc1.
What is the InChIKey of N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is FKBDVFNZJVPFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-5-16-38(17-6-1)39-28-31-44(32-29-39)60-52-26-14-13-24-47(52)48-25-15-27-53(55(48)60)59(43-22-11-4-12-23-43)45-33-34-46-49(40-18-7-2-8-19-40)36-42-30-35-51-56(54(42)50(46)37-45)61-57(58-51)41-20-9-3-10-21-41/h1-37H.
What are the key properties of N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine?
N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 779.94 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).