N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine

C48H31NO2 — CID 171050143

IUPACN,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6c(cc45)oc4cccc(-c5ccccc5)c46)cc3)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-4-11-32(12-5-1)33-19-21-34(22-20-33)35-23-25-38(26-24-35)49(37-15-8-3-9-16-37)39-27-28-41-42-30-47-43(31-46(42)51-45(41)29-39)48-40(17-10-18-44(48)50-47)36-13-6-2-7-14-36/h1-31H
InChIKeyWIBIUJKMZZOERN-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine

N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine (PubChem CID 171050143) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine.

Molecular Properties

Compound NameN,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
PubChem CID171050143
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6c(cc45)oc4cccc(-c5ccccc5)c46)cc3)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-4-11-32(12-5-1)33-19-21-34(22-20-33)35-23-25-38(26-24-35)49(37-15-8-3-9-16-37)39-27-28-41-42-30-47-43(31-46(42)51-45(41)29-39)48-40(17-10-18-44(48)50-47)36-13-6-2-7-14-36/h1-31H
InChIKeyWIBIUJKMZZOERN-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine with MolForge

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Related Compounds

5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 158852047
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N,16-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050331
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287

Frequently Asked Questions

What is the IUPAC name of N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine?
The IUPAC name of N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine (CID 171050143) is N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine.
What is the SMILES notation for N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine?
The canonical SMILES for N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6c(cc45)oc4cccc(-c5ccccc5)c46)cc3)cc2)cc1.
What is the InChIKey of N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine?
The InChIKey is WIBIUJKMZZOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-4-11-32(12-5-1)33-19-21-34(22-20-33)35-23-25-38(26-24-35)49(37-15-8-3-9-16-37)39-27-28-41-42-30-47-43(31-46(42)51-45(41)29-39)48-40(17-10-18-44(48)50-47)36-13-6-2-7-14-36/h1-31H.
What are the key properties of N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine?
N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine has a molecular weight of 653.78 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine is sourced from PubChem (CID 171050143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).