N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

C38H25NO — CID 118369410

IUPACN-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C38H25NO/c1-2-10-26(11-3-1)27-20-23-29(24-21-27)39(36-18-9-16-34-33-14-6-7-19-37(33)40-38(34)36)35-17-8-15-31-30-13-5-4-12-28(30)22-25-32(31)35/h1-25H
InChIKeyHDMDTJCEZHASCJ-UHFFFAOYSA-N
MW511.62 g/mol
LogP11.03
Rot. Bonds4

About N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 118369410) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID118369410
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C38H25NO/c1-2-10-26(11-3-1)27-20-23-29(24-21-27)39(36-18-9-16-34-33-14-6-7-19-37(33)40-38(34)36)35-17-8-15-31-30-13-5-4-12-28(30)22-25-32(31)35/h1-25H
InChIKeyHDMDTJCEZHASCJ-UHFFFAOYSA-N
XLogP11.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-chrysen-6-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170140332
N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739196
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-naphthalen-1-yl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]phenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 161255997
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 118369410) is N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is HDMDTJCEZHASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-10-26(11-3-1)27-20-23-29(24-21-27)39(36-18-9-16-34-33-14-6-7-19-37(33)40-38(34)36)35-17-8-15-31-30-13-5-4-12-28(30)22-25-32(31)35/h1-25H.
What are the key properties of N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 511.62 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 118369410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).