N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine

C35H20N2O2 — CID 123611814

IUPACN-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C35H20N2O2/c1-36-23-14-16-24(17-15-23)37(30-11-6-10-28-27-9-4-5-12-31(27)39-35(28)30)25-18-19-29-33(21-25)38-32-20-13-22-7-2-3-8-26(22)34(29)32/h2-21H
InChIKeyNBAQBCWZZGMYPR-UHFFFAOYSA-N
MW500.56 g/mol
LogP10.66
Rot. Bonds3

About N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 123611814) has the molecular formula C35H20N2O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID123611814
Molecular FormulaC35H20N2O2
Molecular Weight500.56 g/mol
Exact Mass500.15
IUPAC NameN-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C35H20N2O2/c1-36-23-14-16-24(17-15-23)37(30-11-6-10-28-27-9-4-5-12-31(27)39-35(28)30)25-18-19-29-33(21-25)38-32-20-13-22-7-2-3-8-26(22)34(29)32/h2-21H
InChIKeyNBAQBCWZZGMYPR-UHFFFAOYSA-N
XLogP10.66
TPSA33.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998659
N-(4-isocyanophenyl)-N-(14,14,28,28-tetramethyl-9-heptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1,3(15),4(13),5,7(12),8,10,16,18(27),19,21,23,25-tridecaenyl)dibenzofuran-4-amine
CID 140758755
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
CID 166845761
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170031315
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 123611814) is N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine is [C-]#[N+]c1ccc(N(c2ccc3c(c2)oc2ccc4ccccc4c23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is NBAQBCWZZGMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2O2/c1-36-23-14-16-24(17-15-23)37(30-11-6-10-28-27-9-4-5-12-31(27)39-35(28)30)25-18-19-29-33(21-25)38-32-20-13-22-7-2-3-8-26(22)34(29)32/h2-21H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 500.56 g/mol, XLogP of 10.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 123611814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).