N-pentaphen-1-ylpentaphen-1-amine

C44H27N — CID 173215967

IUPACN-pentaphen-1-ylpentaphen-1-amine
SMILESc1ccc2cc3c(ccc4cc5cccc(Nc6cccc7cc8ccc9cc%10ccccc%10cc9c8cc67)c5cc43)cc2c1
InChIInChI=1S/C44H27N/c1-3-9-29-23-37-33(19-27(29)7-1)15-17-35-21-31-11-5-13-43(41(31)25-39(35)37)45-44-14-6-12-32-22-36-18-16-34-20-28-8-2-4-10-30(28)24-38(34)40(36)26-42(32)44/h1-26,45H
InChIKeyYVWWUBXDCZEJMI-UHFFFAOYSA-N
MW569.71 g/mol
LogP12.66
Rot. Bonds2

About N-pentaphen-1-ylpentaphen-1-amine

N-pentaphen-1-ylpentaphen-1-amine (PubChem CID 173215967) has the molecular formula C44H27N and a molecular weight of 569.71 g/mol. Its IUPAC name is N-pentaphen-1-ylpentaphen-1-amine.

Molecular Properties

Compound NameN-pentaphen-1-ylpentaphen-1-amine
PubChem CID173215967
Molecular FormulaC44H27N
Molecular Weight569.71 g/mol
Exact Mass569.21
IUPAC NameN-pentaphen-1-ylpentaphen-1-amine
SMILESc1ccc2cc3c(ccc4cc5cccc(Nc6cccc7cc8ccc9cc%10ccccc%10cc9c8cc67)c5cc43)cc2c1
InChIInChI=1S/C44H27N/c1-3-9-29-23-37-33(19-27(29)7-1)15-17-35-21-31-11-5-13-43(41(31)25-39(35)37)45-44-14-6-12-32-22-36-18-16-34-20-28-8-2-4-10-30(28)24-38(34)40(36)26-42(32)44/h1-26,45H
InChIKeyYVWWUBXDCZEJMI-UHFFFAOYSA-N
XLogP12.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 512.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-pentaphen-1-ylpentaphen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-(pentacen-1-ylamino)phenyl]methyl]phenyl]pentacen-1-amine
CID 134716564
N-[4-(aminomethyl)phenyl]anthracen-1-amine
CID 174815298
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
N-ethenylanthracen-1-amine
CID 150752959
pentaphene;perylene
CID 159419403
4-N-benzo[a]anthracen-1-ylbenzene-1,4-diamine
CID 87352642
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
CID 157090523
CID 157090523
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of N-pentaphen-1-ylpentaphen-1-amine?
The IUPAC name of N-pentaphen-1-ylpentaphen-1-amine (CID 173215967) is N-pentaphen-1-ylpentaphen-1-amine.
What is the SMILES notation for N-pentaphen-1-ylpentaphen-1-amine?
The canonical SMILES for N-pentaphen-1-ylpentaphen-1-amine is c1ccc2cc3c(ccc4cc5cccc(Nc6cccc7cc8ccc9cc%10ccccc%10cc9c8cc67)c5cc43)cc2c1.
What is the InChIKey of N-pentaphen-1-ylpentaphen-1-amine?
The InChIKey is YVWWUBXDCZEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N/c1-3-9-29-23-37-33(19-27(29)7-1)15-17-35-21-31-11-5-13-43(41(31)25-39(35)37)45-44-14-6-12-32-22-36-18-16-34-20-28-8-2-4-10-30(28)24-38(34)40(36)26-42(32)44/h1-26,45H.
What are the key properties of N-pentaphen-1-ylpentaphen-1-amine?
N-pentaphen-1-ylpentaphen-1-amine has a molecular weight of 569.71 g/mol, XLogP of 12.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentaphen-1-ylpentaphen-1-amine is sourced from PubChem (CID 173215967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).