N-naphthalen-2-yl-18-phenyl-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-7-amine

C46H29NO2 — CID 171050338

IUPACN-naphthalen-2-yl-18-phenyl-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-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc5c(cc34)oc3c(-c4ccccc4)cccc35)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-10-30(11-4-1)32-18-21-35(22-19-32)47(36-23-20-31-12-7-8-15-34(31)26-36)37-24-25-39-41-28-45-42(29-44(41)48-43(39)27-37)40-17-9-16-38(46(40)49-45)33-13-5-2-6-14-33/h1-29H
InChIKeyHIOYRJHSTJJHNF-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-naphthalen-2-yl-18-phenyl-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-7-amine

N-naphthalen-2-yl-18-phenyl-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-7-amine (PubChem CID 171050338) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-naphthalen-2-yl-18-phenyl-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-7-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-18-phenyl-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-7-amine
PubChem CID171050338
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-naphthalen-2-yl-18-phenyl-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-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc5c(cc34)oc3c(-c4ccccc4)cccc35)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-10-30(11-4-1)32-18-21-35(22-19-32)47(36-23-20-31-12-7-8-15-34(31)26-36)37-24-25-39-41-28-45-42(29-44(41)48-43(39)27-37)40-17-9-16-38(46(40)49-45)33-13-5-2-6-14-33/h1-29H
InChIKeyHIOYRJHSTJJHNF-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-naphthalen-2-yl-18-phenyl-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-7-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589738
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 177286252

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-18-phenyl-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-7-amine?
The IUPAC name of N-naphthalen-2-yl-18-phenyl-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-7-amine (CID 171050338) is N-naphthalen-2-yl-18-phenyl-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-7-amine.
What is the SMILES notation for N-naphthalen-2-yl-18-phenyl-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-7-amine?
The canonical SMILES for N-naphthalen-2-yl-18-phenyl-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-7-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc5c(cc34)oc3c(-c4ccccc4)cccc35)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-18-phenyl-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-7-amine?
The InChIKey is HIOYRJHSTJJHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-10-30(11-4-1)32-18-21-35(22-19-32)47(36-23-20-31-12-7-8-15-34(31)26-36)37-24-25-39-41-28-45-42(29-44(41)48-43(39)27-37)40-17-9-16-38(46(40)49-45)33-13-5-2-6-14-33/h1-29H.
What are the key properties of N-naphthalen-2-yl-18-phenyl-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-7-amine?
N-naphthalen-2-yl-18-phenyl-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-7-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-18-phenyl-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-7-amine is sourced from PubChem (CID 171050338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).