N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine

C46H29NO2 — CID 170126932

IUPACN-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc4c(ccc5oc6ccccc6c54)c3)ccc2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C46H29NO2/c1-3-11-30(12-4-1)40-28-32(31-19-23-36-33(27-31)21-26-44-46(36)39-16-8-10-18-43(39)48-44)20-25-41(40)47(34-13-5-2-6-14-34)35-22-24-38-37-15-7-9-17-42(37)49-45(38)29-35/h1-29H
InChIKeyGIKCEXOSXPMPNS-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine

N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 170126932) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
PubChem CID170126932
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc4c(ccc5oc6ccccc6c54)c3)ccc2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C46H29NO2/c1-3-11-30(12-4-1)40-28-32(31-19-23-36-33(27-31)21-26-44-46(36)39-16-8-10-18-43(39)48-44)20-25-41(40)47(34-13-5-2-6-14-34)35-22-24-38-37-15-7-9-17-42(37)49-45(38)29-35/h1-29H
InChIKeyGIKCEXOSXPMPNS-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126954
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
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-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058
N-(2,4-diphenylphenyl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779551

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine (CID 170126932) is N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine is c1ccc(-c2cc(-c3ccc4c(ccc5oc6ccccc6c54)c3)ccc2N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is GIKCEXOSXPMPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-11-30(12-4-1)40-28-32(31-19-23-36-33(27-31)21-26-44-46(36)39-16-8-10-18-43(39)48-44)20-25-41(40)47(34-13-5-2-6-14-34)35-22-24-38-37-15-7-9-17-42(37)49-45(38)29-35/h1-29H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine?
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 170126932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).