N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine

C36H23NO2 — CID 171050124

IUPACN,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
SMILESc1ccc(-c2cccc3c2oc2cc4c(cc23)oc2cccc(N(c3ccccc3)c3ccccc3)c24)cc1
InChIInChI=1S/C36H23NO2/c1-4-12-24(13-5-1)27-18-10-19-28-29-22-34-30(23-33(29)39-36(27)28)35-31(20-11-21-32(35)38-34)37(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-23H
InChIKeyUQZBBZKAUMYBGM-UHFFFAOYSA-N
MW501.59 g/mol
LogP10.62
Rot. Bonds4

About N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine

N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine (PubChem CID 171050124) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine.

Molecular Properties

Compound NameN,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
PubChem CID171050124
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC NameN,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
SMILESc1ccc(-c2cccc3c2oc2cc4c(cc23)oc2cccc(N(c3ccccc3)c3ccccc3)c24)cc1
InChIInChI=1S/C36H23NO2/c1-4-12-24(13-5-1)27-18-10-19-28-29-22-34-30(23-33(29)39-36(27)28)35-31(20-11-21-32(35)38-34)37(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-23H
InChIKeyUQZBBZKAUMYBGM-UHFFFAOYSA-N
XLogP10.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine with MolForge

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Related Compounds

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789686
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,18-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050042
N,18-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050522
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 174329064

Frequently Asked Questions

What is the IUPAC name of N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine?
The IUPAC name of N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine (CID 171050124) is N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine.
What is the SMILES notation for N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine?
The canonical SMILES for N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine is c1ccc(-c2cccc3c2oc2cc4c(cc23)oc2cccc(N(c3ccccc3)c3ccccc3)c24)cc1.
What is the InChIKey of N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine?
The InChIKey is UQZBBZKAUMYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c1-4-12-24(13-5-1)27-18-10-19-28-29-22-34-30(23-33(29)39-36(27)28)35-31(20-11-21-32(35)38-34)37(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-23H.
What are the key properties of N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine?
N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine has a molecular weight of 501.59 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine is sourced from PubChem (CID 171050124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).