N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine

C44H33NO — CID 170030270

IUPACN-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
SMILESC1=CC2=C(C=C(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)CC2)CC1
InChIInChI=1S/C44H33NO/c1-2-10-30(11-3-1)32-20-24-36(25-21-32)45(41-16-8-6-14-38(41)35-19-18-31-12-4-5-13-34(31)28-35)37-26-22-33-23-27-43-44(40(33)29-37)39-15-7-9-17-42(39)46-43/h1-4,6-12,14-17,20-29H,5,13,18-19H2
InChIKeyJMNKPDWSRFSJAR-UHFFFAOYSA-N
MW591.75 g/mol
LogP12.70
Rot. Bonds5

About N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine

N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine (PubChem CID 170030270) has the molecular formula C44H33NO and a molecular weight of 591.75 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
PubChem CID170030270
Molecular FormulaC44H33NO
Molecular Weight591.75 g/mol
Exact Mass591.26
IUPAC NameN-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
SMILESC1=CC2=C(C=C(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)CC2)CC1
InChIInChI=1S/C44H33NO/c1-2-10-30(11-3-1)32-20-24-36(25-21-32)45(41-16-8-6-14-38(41)35-19-18-31-12-4-5-13-34(31)28-35)37-26-22-33-23-27-43-44(40(33)29-37)39-15-7-9-17-42(39)46-43/h1-4,6-12,14-17,20-29H,5,13,18-19H2
InChIKeyJMNKPDWSRFSJAR-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
N-(2-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 170136482
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126954
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126650
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
CID 170031062
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 176765087

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine (CID 170030270) is N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine is C1=CC2=C(C=C(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)CC2)CC1.
What is the InChIKey of N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
The InChIKey is JMNKPDWSRFSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO/c1-2-10-30(11-3-1)32-20-24-36(25-21-32)45(41-16-8-6-14-38(41)35-19-18-31-12-4-5-13-34(31)28-35)37-26-22-33-23-27-43-44(40(33)29-37)39-15-7-9-17-42(39)46-43/h1-4,6-12,14-17,20-29H,5,13,18-19H2.
What are the key properties of N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine has a molecular weight of 591.75 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[2-(3,4,7,8-tetrahydronaphthalen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine is sourced from PubChem (CID 170030270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).