N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

C50H29NO3 — CID 170001218

IUPACN-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccc3oc4cccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)c4c3c2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C50H29NO3/c1-2-11-33(12-3-1)51(34-21-26-43-40(28-34)49-37-14-7-5-10-31(37)19-24-46(49)53-43)35-20-25-42-41(29-35)50-38(15-8-16-44(50)52-42)32-17-22-39-47(27-32)54-45-23-18-30-9-4-6-13-36(30)48(39)45/h1-29H
InChIKeyISIIQYPFERJEQQ-UHFFFAOYSA-N
MW691.79 g/mol
LogP14.83
Rot. Bonds4

About N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170001218) has the molecular formula C50H29NO3 and a molecular weight of 691.79 g/mol. Its IUPAC name is N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170001218
Molecular FormulaC50H29NO3
Molecular Weight691.79 g/mol
Exact Mass691.21
IUPAC NameN-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccc3oc4cccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)c4c3c2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C50H29NO3/c1-2-11-33(12-3-1)51(34-21-26-43-40(28-34)49-37-14-7-5-10-31(37)19-24-46(49)53-43)35-20-25-42-41(29-35)50-38(15-8-16-44(50)52-42)32-17-22-39-47(27-32)54-45-23-18-30-9-4-6-13-36(30)48(39)45/h1-29H
InChIKeyISIIQYPFERJEQQ-UHFFFAOYSA-N
XLogP14.83
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
N-naphtho[2,1-b][1]benzothiol-10-yl-9-phenanthren-2-yl-N-phenyldibenzofuran-2-amine
CID 172508793
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 172508784
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
CID 167183226
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596

Frequently Asked Questions

What is the IUPAC name of N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 170001218) is N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is c1ccc(N(c2ccc3oc4cccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)c4c3c2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1.
What is the InChIKey of N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is ISIIQYPFERJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO3/c1-2-11-33(12-3-1)51(34-21-26-43-40(28-34)49-37-14-7-5-10-31(37)19-24-46(49)53-43)35-20-25-42-41(29-35)50-38(15-8-16-44(50)52-42)32-17-22-39-47(27-32)54-45-23-18-30-9-4-6-13-36(30)48(39)45/h1-29H.
What are the key properties of N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 691.79 g/mol, XLogP of 14.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170001218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).