10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran

C91H58ClN3O4 — CID 163756617

IUPAC10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran
SMILESClc1ccc2ccc3ccc4nc(-c5ccccc5)oc4c3c2c1.c1ccc(-c2ccc(Cc3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1
InChIInChI=1S/C45H28N2O2.C25H18O.C21H12ClNO/c1-3-9-29(10-4-1)30-17-21-34(22-18-30)47(36-24-25-38-37-13-7-8-14-41(37)48-42(38)28-36)35-23-19-31-15-16-32-20-26-40-44(43(32)39(31)27-35)49-45(46-40)33-11-5-2-6-12-33;1-2-6-20(7-3-1)21-13-10-18(11-14-21)16-19-12-15-23-22-8-4-5-9-24(22)26-25(23)17-19;22-16-10-8-13-6-7-14-9-11-18-20(19(14)17(13)12-16)24-21(23-18)15-4-2-1-3-5-15/h1-28H;1-15,17H,16H2;1-12H
InChIKeyLUPNXKJDSSDVLU-UHFFFAOYSA-N
MW1292.93 g/mol
LogP26.14
Rot. Bonds9

About 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran

10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran (PubChem CID 163756617) has the molecular formula C91H58ClN3O4 and a molecular weight of 1292.93 g/mol. Its IUPAC name is 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran.

Molecular Properties

Compound Name10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran
PubChem CID163756617
Molecular FormulaC91H58ClN3O4
Molecular Weight1292.93 g/mol
Exact Mass1291.41
IUPAC Name10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran
SMILESClc1ccc2ccc3ccc4nc(-c5ccccc5)oc4c3c2c1.c1ccc(-c2ccc(Cc3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1
InChIInChI=1S/C45H28N2O2.C25H18O.C21H12ClNO/c1-3-9-29(10-4-1)30-17-21-34(22-18-30)47(36-24-25-38-37-13-7-8-14-41(37)48-42(38)28-36)35-23-19-31-15-16-32-20-26-40-44(43(32)39(31)27-35)49-45(46-40)33-11-5-2-6-12-33;1-2-6-20(7-3-1)21-13-10-18(11-14-21)16-19-12-15-23-22-8-4-5-9-24(22)26-25(23)17-19;22-16-10-8-13-6-7-14-9-11-18-20(19(14)17(13)12-16)24-21(23-18)15-4-2-1-3-5-15/h1-28H;1-15,17H,16H2;1-12H
InChIKeyLUPNXKJDSSDVLU-UHFFFAOYSA-N
XLogP26.14
TPSA81.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.93
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177119511
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-8-amine;N,N-diphenyl-4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163590286
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
N-(4-methylphenyl)-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-2-amine
CID 170244607
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-dibenzofuran-3-yl-7-phenyl-N-(4-phenylphenyl)-8-oxa-6-azapentacyclo[11.8.0.02,10.05,9.016,21]henicosa-1(13),2(10),3,5(9),6,11,14,16(21),17,19-decaen-18-amine
CID 176851434
N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran?
The IUPAC name of 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran (CID 163756617) is 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran.
What is the SMILES notation for 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran?
The canonical SMILES for 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran is Clc1ccc2ccc3ccc4nc(-c5ccccc5)oc4c3c2c1.c1ccc(-c2ccc(Cc3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)cc1.
What is the InChIKey of 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran?
The InChIKey is LUPNXKJDSSDVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2.C25H18O.C21H12ClNO/c1-3-9-29(10-4-1)30-17-21-34(22-18-30)47(36-24-25-38-37-13-7-8-14-41(37)48-42(38)28-36)35-23-19-31-15-16-32-20-26-40-44(43(32)39(31)27-35)49-45(46-40)33-11-5-2-6-12-33;1-2-6-20(7-3-1)21-13-10-18(11-14-21)16-19-12-15-23-22-8-4-5-9-24(22)26-25(23)17-19;22-16-10-8-13-6-7-14-9-11-18-20(19(14)17(13)12-16)24-21(23-18)15-4-2-1-3-5-15/h1-28H;1-15,17H,16H2;1-12H.
What are the key properties of 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran?
10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran has a molecular weight of 1292.93 g/mol, XLogP of 26.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-phenylnaphtho[2,1-g][1,3]benzoxazole;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;3-[(4-phenylphenyl)methyl]dibenzofuran is sourced from PubChem (CID 163756617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).