N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C60H35NO3 — CID 130289750

IUPACN,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc2c(c1)ccc1oc3c(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccc8ccccc8c67)cc5)c5cccc6c5oc5ccc7ccccc7c56)cc4)cccc3c12
InChIInChI=1S/C60H35NO3/c1-4-13-43-36(10-1)26-33-52-55(43)48-18-7-16-46(58(48)62-52)39-22-29-41(30-23-39)61(51-21-9-20-50-57-45-15-6-3-12-38(45)28-35-54(57)64-60(50)51)42-31-24-40(25-32-42)47-17-8-19-49-56-44-14-5-2-11-37(44)27-34-53(56)63-59(47)49/h1-35H
InChIKeyOTKZMYOSTOEVNP-UHFFFAOYSA-N
MW817.94 g/mol
LogP17.65
Rot. Bonds5

About N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130289750) has the molecular formula C60H35NO3 and a molecular weight of 817.94 g/mol. Its IUPAC name is N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130289750
Molecular FormulaC60H35NO3
Molecular Weight817.94 g/mol
Exact Mass817.26
IUPAC NameN,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc2c(c1)ccc1oc3c(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccc8ccccc8c67)cc5)c5cccc6c5oc5ccc7ccccc7c56)cc4)cccc3c12
InChIInChI=1S/C60H35NO3/c1-4-13-43-36(10-1)26-33-52-55(43)48-18-7-16-46(58(48)62-52)39-22-29-41(30-23-39)61(51-21-9-20-50-57-45-15-6-3-12-38(45)28-35-54(57)64-60(50)51)42-31-24-40(25-32-42)47-17-8-19-49-56-44-14-5-2-11-37(44)27-34-53(56)63-59(47)49/h1-35H
InChIKeyOTKZMYOSTOEVNP-UHFFFAOYSA-N
XLogP17.65
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.94
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-(4-dibenzofuran-4-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine;N-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 161292494
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N,8-diphenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 177130769
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 130289750) is N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc2c(c1)ccc1oc3c(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccc8ccccc8c67)cc5)c5cccc6c5oc5ccc7ccccc7c56)cc4)cccc3c12.
What is the InChIKey of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is OTKZMYOSTOEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35NO3/c1-4-13-43-36(10-1)26-33-52-55(43)48-18-7-16-46(58(48)62-52)39-22-29-41(30-23-39)61(51-21-9-20-50-57-45-15-6-3-12-38(45)28-35-54(57)64-60(50)51)42-31-24-40(25-32-42)47-17-8-19-49-56-44-14-5-2-11-37(44)27-34-53(56)63-59(47)49/h1-35H.
What are the key properties of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 817.94 g/mol, XLogP of 17.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130289750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).