N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine

C36H23NO2 — CID 160799750

IUPACN,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3oc4ccccc4c3c3oc4ccccc4c23)cc1
InChIInChI=1S/C36H23NO2/c1-4-14-24(15-5-1)31-32-27-20-10-12-22-29(27)38-35(32)33-28-21-11-13-23-30(28)39-36(33)34(31)37(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H
InChIKeyNXWFCONKIOQOAU-UHFFFAOYSA-N
MW501.59 g/mol
LogP10.62
Rot. Bonds4

About N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine

N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine (PubChem CID 160799750) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine.

Molecular Properties

Compound NameN,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
PubChem CID160799750
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC NameN,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3oc4ccccc4c3c3oc4ccccc4c23)cc1
InChIInChI=1S/C36H23NO2/c1-4-14-24(15-5-1)31-32-27-20-10-12-22-29(27)38-35(32)33-28-21-11-13-23-30(28)39-36(33)34(31)37(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H
InChIKeyNXWFCONKIOQOAU-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,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine with MolForge

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Related Compounds

N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 169280437
N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline
CID 169280400
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 169280806
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
CID 160898222
11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 169280672
N,N-diphenyl-4-[6-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]aniline
CID 170535971
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
6-phenyl-N,N-bis(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170535880
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
CID 148684754

Frequently Asked Questions

What is the IUPAC name of N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
The IUPAC name of N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine (CID 160799750) is N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine.
What is the SMILES notation for N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
The canonical SMILES for N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine is c1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3oc4ccccc4c3c3oc4ccccc4c23)cc1.
What is the InChIKey of N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
The InChIKey is NXWFCONKIOQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c1-4-14-24(15-5-1)31-32-27-20-10-12-22-29(27)38-35(32)33-28-21-11-13-23-30(28)39-36(33)34(31)37(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H.
What are the key properties of N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
N,N,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-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,12-triphenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine is sourced from PubChem (CID 160799750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).