N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine

C54H34N4O — CID 142370260

IUPACN-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N5c6ccccc6-c6nccc7c6c5nc5ccccc57)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-2-11-35(12-3-1)36-21-27-39(28-22-36)57(48-18-10-20-50-51(48)45-15-6-9-19-49(45)59-50)40-29-23-37(24-30-40)38-25-31-41(32-26-38)58-47-17-8-5-14-44(47)53-52-43(33-34-55-53)42-13-4-7-16-46(42)56-54(52)58/h1-34H
InChIKeyUGOYASVRIBNBEY-UHFFFAOYSA-N
MW754.89 g/mol
LogP14.94
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine

N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 142370260) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID142370260
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC NameN-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N5c6ccccc6-c6nccc7c6c5nc5ccccc57)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-2-11-35(12-3-1)36-21-27-39(28-22-36)57(48-18-10-20-50-51(48)45-15-6-9-19-49(45)59-50)40-29-23-37(24-30-40)38-25-31-41(32-26-38)58-47-17-8-5-14-44(47)53-52-43(33-34-55-53)42-13-4-7-16-46(42)56-54(52)58/h1-34H
InChIKeyUGOYASVRIBNBEY-UHFFFAOYSA-N
XLogP14.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine (CID 142370260) is N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N5c6ccccc6-c6nccc7c6c5nc5ccccc57)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is UGOYASVRIBNBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-2-11-35(12-3-1)36-21-27-39(28-22-36)57(48-18-10-20-50-51(48)45-15-6-9-19-49(45)59-50)40-29-23-37(24-30-40)38-25-31-41(32-26-38)58-47-17-8-5-14-44(47)53-52-43(33-34-55-53)42-13-4-7-16-46(42)56-54(52)58/h1-34H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine?
N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 754.89 g/mol, XLogP of 14.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 142370260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).