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

C170H103N9O6 — CID 167635971

IUPACN,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
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(-c3ccc4cc(N(c5ccc(-c6nc7cc8ccccc8cc7o6)cc5)c5ccc(-c6nc7cc8ccccc8cc7o6)cc5)ccc4c3)c([2H])c([2H])c2c1[2H].c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7c(ccc8ccccc87)o6)cc5)c5ccc(-c6nc7c(ccc8ccccc87)o6)cc5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7cc8cc9ccccc9cc8cc7o6)cc5)c5ccc(-c6nc7cc8cc9ccccc9cc8cc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C62H37N3O2.2C54H33N3O2/c1-2-8-41-27-46(14-13-38(41)7-1)47-15-16-49-33-56(26-21-48(49)28-47)65(54-22-17-39(18-23-54)61-63-57-34-50-29-42-9-3-5-11-44(42)31-52(50)36-59(57)66-61)55-24-19-40(20-25-55)62-64-58-35-51-30-43-10-4-6-12-45(43)32-53(51)37-60(58)67-62;1-2-10-39-31-40(14-13-34(39)7-1)41-15-16-43-33-46(28-21-42(43)32-41)57(44-24-17-37(18-25-44)53-55-51-47-11-5-3-8-35(47)22-29-49(51)58-53)45-26-19-38(20-27-45)54-56-52-48-12-6-4-9-36(48)23-30-50(52)59-54;1-2-8-37-27-42(14-13-34(37)7-1)43-15-16-45-29-48(26-21-44(45)28-43)57(46-22-17-35(18-23-46)53-55-49-30-38-9-3-5-11-40(38)32-51(49)58-53)47-24-19-36(20-25-47)54-56-50-31-39-10-4-6-12-41(39)33-52(50)59-54/h1-37H;2*1-33H/i;;1D,2D,7D,8D,13D,14D,27D
InChIKeyOMCYDAVRHQHMDE-VFLQEALPSA-N
MW2374.79 g/mol
LogP47.46
Rot. Bonds18

About 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

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 (PubChem CID 167635971) has the molecular formula C170H103N9O6 and a molecular weight of 2374.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID167635971
Molecular FormulaC170H103N9O6
Molecular Weight2374.79 g/mol
Exact Mass2372.85
IUPAC NameN,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
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(-c3ccc4cc(N(c5ccc(-c6nc7cc8ccccc8cc7o6)cc5)c5ccc(-c6nc7cc8ccccc8cc7o6)cc5)ccc4c3)c([2H])c([2H])c2c1[2H].c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7c(ccc8ccccc87)o6)cc5)c5ccc(-c6nc7c(ccc8ccccc87)o6)cc5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7cc8cc9ccccc9cc8cc7o6)cc5)c5ccc(-c6nc7cc8cc9ccccc9cc8cc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C62H37N3O2.2C54H33N3O2/c1-2-8-41-27-46(14-13-38(41)7-1)47-15-16-49-33-56(26-21-48(49)28-47)65(54-22-17-39(18-23-54)61-63-57-34-50-29-42-9-3-5-11-44(42)31-52(50)36-59(57)66-61)55-24-19-40(20-25-55)62-64-58-35-51-30-43-10-4-6-12-45(43)32-53(51)37-60(58)67-62;1-2-10-39-31-40(14-13-34(39)7-1)41-15-16-43-33-46(28-21-42(43)32-41)57(44-24-17-37(18-25-44)53-55-51-47-11-5-3-8-35(47)22-29-49(51)58-53)45-26-19-38(20-27-45)54-56-52-48-12-6-4-9-36(48)23-30-50(52)59-54;1-2-8-37-27-42(14-13-34(37)7-1)43-15-16-45-29-48(26-21-44(45)28-43)57(46-22-17-35(18-23-46)53-55-49-30-38-9-3-5-11-40(38)32-51(49)58-53)47-24-19-36(20-25-47)54-56-50-31-39-10-4-6-12-41(39)33-52(50)59-54/h1-37H;2*1-33H/i;;1D,2D,7D,8D,13D,14D,27D
InChIKeyOMCYDAVRHQHMDE-VFLQEALPSA-N
XLogP47.46
TPSA165.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.79
LogP ≤ 547.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
CID 164939320
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
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-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
CID 170424938
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N-[1,3,4,5,7,8-hexadeuterio-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 164939348
N,4-diphenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-8-yl)phenyl]aniline
CID 170026606
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167130080
6-[6-[4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino]-1-deuterionaphthalen-2-yl]naphthalene-2-carbonitrile
CID 164711065
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c([2H])c(-c3ccc4cc(N(c5ccc(-c6nc7cc8ccccc8cc7o6)cc5)c5ccc(-c6nc7cc8ccccc8cc7o6)cc5)ccc4c3)c([2H])c([2H])c2c1[2H].c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7c(ccc8ccccc87)o6)cc5)c5ccc(-c6nc7c(ccc8ccccc87)o6)cc5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4cc(N(c5ccc(-c6nc7cc8cc9ccccc9cc8cc7o6)cc5)c5ccc(-c6nc7cc8cc9ccccc9cc8cc7o6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is OMCYDAVRHQHMDE-VFLQEALPSA-N. The full InChI is InChI=1S/C62H37N3O2.2C54H33N3O2/c1-2-8-41-27-46(14-13-38(41)7-1)47-15-16-49-33-56(26-21-48(49)28-47)65(54-22-17-39(18-23-54)61-63-57-34-50-29-42-9-3-5-11-44(42)31-52(50)36-59(57)66-61)55-24-19-40(20-25-55)62-64-58-35-51-30-43-10-4-6-12-45(43)32-53(51)37-60(58)67-62;1-2-10-39-31-40(14-13-34(39)7-1)41-15-16-43-33-46(28-21-42(43)32-41)57(44-24-17-37(18-25-44)53-55-51-47-11-5-3-8-35(47)22-29-49(51)58-53)45-26-19-38(20-27-45)54-56-52-48-12-6-4-9-36(48)23-30-50(52)59-54;1-2-8-37-27-42(14-13-34(37)7-1)43-15-16-45-29-48(26-21-44(45)28-43)57(46-22-17-35(18-23-46)53-55-49-30-38-9-3-5-11-40(38)32-51(49)58-53)47-24-19-36(20-25-47)54-56-50-31-39-10-4-6-12-41(39)33-52(50)59-54/h1-37H;2*1-33H/i;;1D,2D,7D,8D,13D,14D,27D.
What are the key properties of 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?
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 has a molecular weight of 2374.79 g/mol, XLogP of 47.46, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167635971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).