N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine

C48H29NO2 — CID 170137651

IUPACN-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)ccc1c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cc3ccc21
InChIInChI=1S/C48H29NO2/c1-2-8-37-31(7-1)15-23-40-38-22-16-32(27-33(38)17-24-39(37)40)30-13-18-34(19-14-30)49(35-20-25-43-41-9-3-5-11-45(41)50-47(43)28-35)36-21-26-44-42-10-4-6-12-46(42)51-48(44)29-36/h1-29H
InChIKeyPLGMBFBOBAMPLQ-UHFFFAOYSA-N
MW651.77 g/mol
LogP14.08
Rot. Bonds4

About N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine

N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine (PubChem CID 170137651) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
PubChem CID170137651
Molecular FormulaC48H29NO2
Molecular Weight651.77 g/mol
Exact Mass651.22
IUPAC NameN-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)ccc1c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cc3ccc21
InChIInChI=1S/C48H29NO2/c1-2-8-37-31(7-1)15-23-40-38-22-16-32(27-33(38)17-24-39(37)40)30-13-18-34(19-14-30)49(35-20-25-43-41-9-3-5-11-45(41)50-47(43)28-35)36-21-26-44-42-10-4-6-12-46(42)51-48(44)29-36/h1-29H
InChIKeyPLGMBFBOBAMPLQ-UHFFFAOYSA-N
XLogP14.08
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine?
The IUPAC name of N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine (CID 170137651) is N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine is c1ccc2c(c1)ccc1c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cc3ccc21.
What is the InChIKey of N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine?
The InChIKey is PLGMBFBOBAMPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c1-2-8-37-31(7-1)15-23-40-38-22-16-32(27-33(38)17-24-39(37)40)30-13-18-34(19-14-30)49(35-20-25-43-41-9-3-5-11-45(41)50-47(43)28-35)36-21-26-44-42-10-4-6-12-46(42)51-48(44)29-36/h1-29H.
What are the key properties of N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine?
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine has a molecular weight of 651.77 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine is sourced from PubChem (CID 170137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).