11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

C57H36N2O2 — CID 171754421

IUPAC11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cccc(-c6ccc(-c7nc8ccccc8o7)c7ccccc67)c5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C57H36N2O2/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)59(42-32-28-40(29-33-42)38-16-5-2-6-17-38)51-36-54-56(48-21-10-9-20-46(48)51)55-47(22-13-25-53(55)60-54)45-34-35-49(44-19-8-7-18-43(44)45)57-58-50-23-11-12-24-52(50)61-57/h1-36H
InChIKeyLAQMEALDOXHMOQ-UHFFFAOYSA-N
MW780.93 g/mol
LogP16.17
Rot. Bonds7

About 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 171754421) has the molecular formula C57H36N2O2 and a molecular weight of 780.93 g/mol. Its IUPAC name is 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
PubChem CID171754421
Molecular FormulaC57H36N2O2
Molecular Weight780.93 g/mol
Exact Mass780.28
IUPAC Name11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cccc(-c6ccc(-c7nc8ccccc8o7)c7ccccc67)c5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C57H36N2O2/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)59(42-32-28-40(29-33-42)38-16-5-2-6-17-38)51-36-54-56(48-21-10-9-20-46(48)51)55-47(22-13-25-53(55)60-54)45-34-35-49(44-19-8-7-18-43(44)45)57-58-50-23-11-12-24-52(50)61-57/h1-36H
InChIKeyLAQMEALDOXHMOQ-UHFFFAOYSA-N
XLogP16.17
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 177081876
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
4-[3-(1,3-benzoxazol-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 171755170
9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine
CID 175615107
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363460
4-[4-[5-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-11-yl]-2,3,5,6-tetradeuteriophenyl]-2,3,5,6-tetradeuterio-N,N-diphenylaniline
CID 171754399
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468588
N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline
CID 171754984
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472

Frequently Asked Questions

What is the IUPAC name of 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (CID 171754421) is 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cccc(-c6ccc(-c7nc8ccccc8o7)c7ccccc67)c5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is LAQMEALDOXHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O2/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)59(42-32-28-40(29-33-42)38-16-5-2-6-17-38)51-36-54-56(48-21-10-9-20-46(48)51)55-47(22-13-25-53(55)60-54)45-34-35-49(44-19-8-7-18-43(44)45)57-58-50-23-11-12-24-52(50)61-57/h1-36H.
What are the key properties of 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 780.93 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 171754421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).