4-(furan-2-yl)-N,N-diphenylanthracen-9-amine

C30H21NO — CID 135173917

IUPAC4-(furan-2-yl)-N,N-diphenylanthracen-9-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3cc3c(-c4ccco4)cccc23)cc1
InChIInChI=1S/C30H21NO/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)30-25-16-8-7-11-22(25)21-28-26(17-9-18-27(28)30)29-19-10-20-32-29/h1-21H
InChIKeyXPRRDUMFJCMTAJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP8.72
Rot. Bonds4

About 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine

4-(furan-2-yl)-N,N-diphenylanthracen-9-amine (PubChem CID 135173917) has the molecular formula C30H21NO and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N,N-diphenylanthracen-9-amine
PubChem CID135173917
Molecular FormulaC30H21NO
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name4-(furan-2-yl)-N,N-diphenylanthracen-9-amine
SMILESc1ccc(N(c2ccccc2)c2c3ccccc3cc3c(-c4ccco4)cccc23)cc1
InChIInChI=1S/C30H21NO/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)30-25-16-8-7-11-22(25)21-28-26(17-9-18-27(28)30)29-19-10-20-32-29/h1-21H
InChIKeyXPRRDUMFJCMTAJ-UHFFFAOYSA-N
XLogP8.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine
CID 22630557
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
16-N,16-N,30-N,30-N-tetraphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene-16,30-diamine
CID 89357431
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 176588231
[3-(N-anthracen-9-ylanilino)phenyl]methanol
CID 139983979
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine?
The IUPAC name of 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine (CID 135173917) is 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine.
What is the SMILES notation for 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine?
The canonical SMILES for 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine is c1ccc(N(c2ccccc2)c2c3ccccc3cc3c(-c4ccco4)cccc23)cc1.
What is the InChIKey of 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine?
The InChIKey is XPRRDUMFJCMTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)30-25-16-8-7-11-22(25)21-28-26(17-9-18-27(28)30)29-19-10-20-32-29/h1-21H.
What are the key properties of 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine?
4-(furan-2-yl)-N,N-diphenylanthracen-9-amine has a molecular weight of 411.50 g/mol, XLogP of 8.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N,N-diphenylanthracen-9-amine is sourced from PubChem (CID 135173917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).