1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide

C46H39N3O2 — CID 174151797

IUPAC1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide
SMILESCC(NC(N=C(N)C1=C(c2ccccc2)c2c(oc3ccccc23)CC1)c1ccccc1)c1ccc2oc3c(c2c1-c1ccccc1)CCC=C3
InChIInChI=1S/C46H39N3O2/c1-29(33-25-27-39-43(34-21-11-13-23-37(34)50-39)41(33)30-15-5-2-6-16-30)48-46(32-19-9-4-10-20-32)49-45(47)36-26-28-40-44(35-22-12-14-24-38(35)51-40)42(36)31-17-7-3-8-18-31/h2-10,12-20,22-25,27,29,46,48H,11,21,26,28H2,1H3,(H2,47,49)
InChIKeyZJCXKBZVZAHLLD-UHFFFAOYSA-N
MW665.84 g/mol
LogP10.96
Rot. Bonds8

About 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide

1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide (PubChem CID 174151797) has the molecular formula C46H39N3O2 and a molecular weight of 665.84 g/mol. Its IUPAC name is 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide.

Molecular Properties

Compound Name1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide
PubChem CID174151797
Molecular FormulaC46H39N3O2
Molecular Weight665.84 g/mol
Exact Mass665.30
IUPAC Name1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide
SMILESCC(NC(N=C(N)C1=C(c2ccccc2)c2c(oc3ccccc23)CC1)c1ccccc1)c1ccc2oc3c(c2c1-c1ccccc1)CCC=C3
InChIInChI=1S/C46H39N3O2/c1-29(33-25-27-39-43(34-21-11-13-23-37(34)50-39)41(33)30-15-5-2-6-16-30)48-46(32-19-9-4-10-20-32)49-45(47)36-26-28-40-44(35-22-12-14-24-38(35)51-40)42(36)31-17-7-3-8-18-31/h2-10,12-20,22-25,27,29,46,48H,11,21,26,28H2,1H3,(H2,47,49)
InChIKeyZJCXKBZVZAHLLD-UHFFFAOYSA-N
XLogP10.96
TPSA76.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 510.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
CID 88995013
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene
CID 168834218
N'-[[1-(4-phenylphenyl)ethylamino]-(3,4,5-trihydroxy-2,6-dimethylphenyl)methyl]-7,8-dihydrochrysene-3-carboximidamide
CID 174102956
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran
CID 170225073
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
6-[4-(10-phenylanthracen-9-yl)phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
CID 163586642
2-naphthalen-2-yl-4-phenyl-6-(2-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 167007303
2-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 130254123
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide?
The IUPAC name of 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide (CID 174151797) is 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide.
What is the SMILES notation for 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide?
The canonical SMILES for 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide is CC(NC(N=C(N)C1=C(c2ccccc2)c2c(oc3ccccc23)CC1)c1ccccc1)c1ccc2oc3c(c2c1-c1ccccc1)CCC=C3.
What is the InChIKey of 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide?
The InChIKey is ZJCXKBZVZAHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N3O2/c1-29(33-25-27-39-43(34-21-11-13-23-37(34)50-39)41(33)30-15-5-2-6-16-30)48-46(32-19-9-4-10-20-32)49-45(47)36-26-28-40-44(35-22-12-14-24-38(35)51-40)42(36)31-17-7-3-8-18-31/h2-10,12-20,22-25,27,29,46,48H,11,21,26,28H2,1H3,(H2,47,49).
What are the key properties of 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide?
1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide has a molecular weight of 665.84 g/mol, XLogP of 10.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide is sourced from PubChem (CID 174151797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).