6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine

C62H37N3O2 — CID 164939320

IUPAC6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7cc8ccc9ccccc9c8cc7o6)cc5)c5ccc(-c6nc7cc8ccc9ccccc9c8cc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C62H37N3O2/c1-2-10-43-31-44(16-13-38(43)7-1)45-17-18-47-33-52(30-25-46(47)32-45)65(50-26-21-41(22-27-50)61-63-57-34-48-19-14-39-8-3-5-11-53(39)55(48)36-59(57)66-61)51-28-23-42(24-29-51)62-64-58-35-49-20-15-40-9-4-6-12-54(40)56(49)37-60(58)67-62/h1-37H
InChIKeyZVGJNCWGNFXVBR-UHFFFAOYSA-N
MW856.00 g/mol
LogP17.36
Rot. Bonds6

About 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine

6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine (PubChem CID 164939320) has the molecular formula C62H37N3O2 and a molecular weight of 856.00 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
PubChem CID164939320
Molecular FormulaC62H37N3O2
Molecular Weight856.00 g/mol
Exact Mass855.29
IUPAC Name6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7cc8ccc9ccccc9c8cc7o6)cc5)c5ccc(-c6nc7cc8ccc9ccccc9c8cc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C62H37N3O2/c1-2-10-43-31-44(16-13-38(43)7-1)45-17-18-47-33-52(30-25-46(47)32-45)65(50-26-21-41(22-27-50)61-63-57-34-48-19-14-39-8-3-5-11-53(39)55(48)36-59(57)66-61)51-28-23-42(24-29-51)62-64-58-35-49-20-15-40-9-4-6-12-54(40)56(49)37-60(58)67-62/h1-37H
InChIKeyZVGJNCWGNFXVBR-UHFFFAOYSA-N
XLogP17.36
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-phenanthren-3-ylnaphthalen-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 164939222
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127159
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128562
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-cinnolin-4-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404598
15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine
CID 172504380
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-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(21),17,19-decaen-18-amine
CID 176631252
N,N-bis(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-6-naphthalen-2-ylnaphthalen-2-amine;N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-amine;6-naphthalen-2-yl-N,N-bis(4-naphtho[2,3-f][1,3]benzoxazol-2-ylphenyl)naphthalen-2-amine
CID 167635971
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine?
The IUPAC name of 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine (CID 164939320) is 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine is c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7cc8ccc9ccccc9c8cc7o6)cc5)c5ccc(-c6nc7cc8ccc9ccccc9c8cc7o6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine?
The InChIKey is ZVGJNCWGNFXVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N3O2/c1-2-10-43-31-44(16-13-38(43)7-1)45-17-18-47-33-52(30-25-46(47)32-45)65(50-26-21-41(22-27-50)61-63-57-34-48-19-14-39-8-3-5-11-53(39)55(48)36-59(57)66-61)51-28-23-42(24-29-51)62-64-58-35-49-20-15-40-9-4-6-12-54(40)56(49)37-60(58)67-62/h1-37H.
What are the key properties of 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine?
6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine has a molecular weight of 856.00 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 164939320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).