N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine

C56H37N — CID 166031902

IUPACN-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3ccc4cc5c(cc4c3)-c3c-5c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C56H37N/c1-6-18-38(19-7-1)43-31-33-47(39-20-8-2-9-21-39)52(37-43)57(45-26-14-5-15-27-45)46-32-30-42-35-50-51(36-44(42)34-46)56-54(41-24-12-4-13-25-41)49-29-17-16-28-48(49)53(55(50)56)40-22-10-3-11-23-40/h1-37H
InChIKeySQUHJUINCBHCGB-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.78
Rot. Bonds7

About N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine

N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine (PubChem CID 166031902) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine.

Molecular Properties

Compound NameN-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
PubChem CID166031902
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3ccc4cc5c(cc4c3)-c3c-5c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C56H37N/c1-6-18-38(19-7-1)43-31-33-47(39-20-8-2-9-21-39)52(37-43)57(45-26-14-5-15-27-45)46-32-30-42-35-50-51(36-44(42)34-46)56-54(41-24-12-4-13-25-41)49-29-17-16-28-48(49)53(55(50)56)40-22-10-3-11-23-40/h1-37H
InChIKeySQUHJUINCBHCGB-UHFFFAOYSA-N
XLogP15.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine with MolForge

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Related Compounds

13,20-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032727
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
5-N,20-N-bis(2,5-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430958
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N,N,4,11-tetraphenylhexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166032864
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N,17-diphenyl-N-[1-(3-phenylphenyl)naphthalen-2-yl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728735

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
The IUPAC name of N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine (CID 166031902) is N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine.
What is the SMILES notation for N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
The canonical SMILES for N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine is c1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3ccc4cc5c(cc4c3)-c3c-5c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
The InChIKey is SQUHJUINCBHCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-6-18-38(19-7-1)43-31-33-47(39-20-8-2-9-21-39)52(37-43)57(45-26-14-5-15-27-45)46-32-30-42-35-50-51(36-44(42)34-46)56-54(41-24-12-4-13-25-41)49-29-17-16-28-48(49)53(55(50)56)40-22-10-3-11-23-40/h1-37H.
What are the key properties of N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine has a molecular weight of 723.92 g/mol, XLogP of 15.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine is sourced from PubChem (CID 166031902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).