6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine

C53H34N2O2 — CID 90262521

IUPAC6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
SMILESc1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cccc4c3Cc3ccccc3-4)c3c2oc2ccccc23)cc1
InChIInChI=1S/C53H34N2O2/c1-3-18-35(19-4-1)54(45-29-15-27-38-37-22-8-7-17-34(37)33-44(38)45)50-40-24-9-10-25-41(40)51(53-49(50)43-26-12-14-32-48(43)57-53)55(36-20-5-2-6-21-36)46-30-16-28-42-39-23-11-13-31-47(39)56-52(42)46/h1-32H,33H2
InChIKeyKWKWMSPOTPVJCO-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.15
Rot. Bonds6

About 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine

6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine (PubChem CID 90262521) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine.

Molecular Properties

Compound Name6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
PubChem CID90262521
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
SMILESc1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cccc4c3Cc3ccccc3-4)c3c2oc2ccccc23)cc1
InChIInChI=1S/C53H34N2O2/c1-3-18-35(19-4-1)54(45-29-15-27-38-37-22-8-7-17-34(37)33-44(38)45)50-40-24-9-10-25-41(40)51(53-49(50)43-26-12-14-32-48(43)57-53)55(36-20-5-2-6-21-36)46-30-16-28-42-39-23-11-13-31-47(39)56-52(42)46/h1-32H,33H2
InChIKeyKWKWMSPOTPVJCO-UHFFFAOYSA-N
XLogP15.15
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Analyze 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine with MolForge

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Related Compounds

1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
CID 166050911
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
CID 171435510
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(6-phenyldibenzofuran-4-yl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262506
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262538
6-N,11-N-di(phenanthren-9-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262487

Frequently Asked Questions

What is the IUPAC name of 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine?
The IUPAC name of 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine (CID 90262521) is 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine.
What is the SMILES notation for 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine?
The canonical SMILES for 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine is c1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cccc4c3Cc3ccccc3-4)c3c2oc2ccccc23)cc1.
What is the InChIKey of 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine?
The InChIKey is KWKWMSPOTPVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-3-18-35(19-4-1)54(45-29-15-27-38-37-22-8-7-17-34(37)33-44(38)45)50-40-24-9-10-25-41(40)51(53-49(50)43-26-12-14-32-48(43)57-53)55(36-20-5-2-6-21-36)46-30-16-28-42-39-23-11-13-31-47(39)56-52(42)46/h1-32H,33H2.
What are the key properties of 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine?
6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine has a molecular weight of 730.87 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine is sourced from PubChem (CID 90262521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).