N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine

C60H44N2O — CID 118633637

About N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine

N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine (PubChem CID 118633637) has the molecular formula C60H44N2O and a molecular weight of 809.03 g/mol. Its IUPAC name is N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine
• PubChem CID: 118633637
• Molecular Formula: C60H44N2O
• Molecular Weight: 809.03 g/mol
• Exact Mass: 808.35
• IUPAC Name: N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine
• SMILES: Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4ccccc4)ccc13)C(C)(C)c1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc1-2
• InChI: InChI=1S/C60H44N2O/c1-39-47-36-34-46(61(42-17-7-4-8-18-42)43-19-9-5-10-20-43)38-52(47)49-24-15-26-53-58(49)57(39)51-35-31-41(37-54(51)60(53,2)3)40-29-32-45(33-30-40)62(44-21-11-6-12-22-44)55-27-16-25-50-48-23-13-14-28-56(48)63-59(50)55/h4-38H,1-3H3
• InChIKey: UUEYDDUDWWZEGE-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.03
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine?

The IUPAC name of N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine (CID 118633637) is N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine.

What is the SMILES notation for N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine?

The canonical SMILES for N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine is Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4ccccc4)ccc13)C(C)(C)c1cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc1-2.

What is the InChIKey of N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine?

The InChIKey is UUEYDDUDWWZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O/c1-39-47-36-34-46(61(42-17-7-4-8-18-42)43-19-9-5-10-20-43)38-52(47)49-24-15-26-53-58(49)57(39)51-35-31-41(37-54(51)60(53,2)3)40-29-32-45(33-30-40)62(44-21-11-6-12-22-44)55-27-16-25-50-48-23-13-14-28-56(48)63-59(50)55/h4-38H,1-3H3.

What are the key properties of N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine?

N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 809.03 g/mol, XLogP of 17.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 118633637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).