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

C60H37NO2 — CID 134337475

IUPAC4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C60H37NO2/c1-4-14-47-38(10-1)13-7-17-48(47)41-22-30-44(31-23-41)61(45-32-24-42(25-33-45)51-18-8-20-53-57-49-15-5-2-11-39(49)28-36-55(57)62-59(51)53)46-34-26-43(27-35-46)52-19-9-21-54-58-50-16-6-3-12-40(50)29-37-56(58)63-60(52)54/h1-37H
InChIKeySXFUKCQKNHJMHO-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

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

4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline (PubChem CID 134337475) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
PubChem CID134337475
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC Name4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C60H37NO2/c1-4-14-47-38(10-1)13-7-17-48(47)41-22-30-44(31-23-41)61(45-32-24-42(25-33-45)51-18-8-20-53-57-49-15-5-2-11-39(49)28-36-55(57)62-59(51)53)46-34-26-43(27-35-46)52-19-9-21-54-58-50-16-6-3-12-40(50)29-37-56(58)63-60(52)54/h1-37H
InChIKeySXFUKCQKNHJMHO-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N,N-bis(4-naphthalen-1-ylphenyl)-4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)aniline
CID 122599277
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
N-(4-naphthalen-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 167331123
N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
CID 170033343
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300641

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline?
The IUPAC name of 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline (CID 134337475) is 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline?
The canonical SMILES for 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline is c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)cc3)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline?
The InChIKey is SXFUKCQKNHJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-4-14-47-38(10-1)13-7-17-48(47)41-22-30-44(31-23-41)61(45-32-24-42(25-33-45)51-18-8-20-53-57-49-15-5-2-11-39(49)28-36-55(57)62-59(51)53)46-34-26-43(27-35-46)52-19-9-21-54-58-50-16-6-3-12-40(50)29-37-56(58)63-60(52)54/h1-37H.
What are the key properties of 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline?
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline has a molecular weight of 803.96 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline is sourced from PubChem (CID 134337475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).