N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C137H84N6O5S — CID 163668665

IUPACN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2nc3ccc4ccc5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)ccc5c4c3s2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cc7ccccc7c7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C47H28N2O2.C45H26N2O2S.C45H30N2O/c1-2-10-31(11-3-1)47-48-41-24-21-30-19-18-29-20-22-33(27-39(29)45(30)46(41)51-47)49(34-23-25-44-40(28-34)38-16-8-9-17-43(38)50-44)42-26-32-12-4-5-13-35(32)36-14-6-7-15-37(36)42;1-2-8-28(9-3-1)45-46-38-22-16-27-14-15-29-24-30(17-20-33(29)43(27)44(38)50-45)47(31-19-23-41-37(25-31)35-11-5-7-13-40(35)48-41)32-18-21-36-34-10-4-6-12-39(34)49-42(36)26-32;1-4-12-31(13-5-1)36-18-10-20-38(28-36)47(39-21-11-19-37(29-39)32-14-6-2-7-15-32)40-26-24-33-22-23-34-25-27-42-44(43(34)41(33)30-40)48-45(46-42)35-16-8-3-9-17-35/h1-28H;1-26H;1-30H
InChIKeyJAQAHXYRLHVSIU-UHFFFAOYSA-N
MW1926.28 g/mol
LogP39.62
Rot. Bonds14

About N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 163668665) has the molecular formula C137H84N6O5S and a molecular weight of 1926.28 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID163668665
Molecular FormulaC137H84N6O5S
Molecular Weight1926.28 g/mol
Exact Mass1924.62
IUPAC NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2nc3ccc4ccc5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)ccc5c4c3s2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cc7ccccc7c7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C47H28N2O2.C45H26N2O2S.C45H30N2O/c1-2-10-31(11-3-1)47-48-41-24-21-30-19-18-29-20-22-33(27-39(29)45(30)46(41)51-47)49(34-23-25-44-40(28-34)38-16-8-9-17-43(38)50-44)42-26-32-12-4-5-13-35(32)36-14-6-7-15-37(36)42;1-2-8-28(9-3-1)45-46-38-22-16-27-14-15-29-24-30(17-20-33(29)43(27)44(38)50-45)47(31-19-23-41-37(25-31)35-11-5-7-13-40(35)48-41)32-18-21-36-34-10-4-6-12-39(34)49-42(36)26-32;1-4-12-31(13-5-1)36-18-10-20-38(28-36)47(39-21-11-19-37(29-39)32-14-6-2-7-15-32)40-26-24-33-22-23-34-25-27-42-44(43(34)41(33)30-40)48-45(46-42)35-16-8-3-9-17-35/h1-28H;1-26H;1-30H
InChIKeyJAQAHXYRLHVSIU-UHFFFAOYSA-N
XLogP39.62
TPSA114.09 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001926.28
LogP ≤ 539.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 163668665) is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2nc3ccc4ccc5cc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)ccc5c4c3s2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7oc8ccccc8c7c6)c6cc7ccccc7c7ccccc67)cc5c4c3o2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is JAQAHXYRLHVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2.C45H26N2O2S.C45H30N2O/c1-2-10-31(11-3-1)47-48-41-24-21-30-19-18-29-20-22-33(27-39(29)45(30)46(41)51-47)49(34-23-25-44-40(28-34)38-16-8-9-17-43(38)50-44)42-26-32-12-4-5-13-35(32)36-14-6-7-15-37(36)42;1-2-8-28(9-3-1)45-46-38-22-16-27-14-15-29-24-30(17-20-33(29)43(27)44(38)50-45)47(31-19-23-41-37(25-31)35-11-5-7-13-40(35)48-41)32-18-21-36-34-10-4-6-12-39(34)49-42(36)26-32;1-4-12-31(13-5-1)36-18-10-20-38(28-36)47(39-21-11-19-37(29-39)32-14-6-2-7-15-32)40-26-24-33-22-23-34-25-27-42-44(43(34)41(33)30-40)48-45(46-42)35-16-8-3-9-17-35/h1-28H;1-26H;1-30H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 1926.28 g/mol, XLogP of 39.62, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-amine;N-dibenzofuran-2-yl-N-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 163668665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).