3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

C52H33NO2 — CID 164961326

IUPAC3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5oc6ccc7c8ccccc8oc7c6c45)c3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-11-34(12-3-1)35-23-27-39(28-24-35)53(40-29-25-37(26-30-40)43-19-9-14-36-13-4-5-17-42(36)43)41-16-8-15-38(33-41)44-20-10-22-48-50(44)51-49(54-48)32-31-46-45-18-6-7-21-47(45)55-52(46)51/h1-33H
InChIKeyYGRGYNDOOZANRR-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 164961326) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID164961326
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC Name3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5oc6ccc7c8ccccc8oc7c6c45)c3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-11-34(12-3-1)35-23-27-39(28-24-35)53(40-29-25-37(26-30-40)43-19-9-14-36-13-4-5-17-42(36)43)41-16-8-15-38(33-41)44-20-10-22-48-50(44)51-49(54-48)32-31-46-45-18-6-7-21-47(45)55-52(46)51/h1-33H
InChIKeyYGRGYNDOOZANRR-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 158761116
N-[4-(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-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 165031097
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
3-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167329594
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
2-(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-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[3-(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-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(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-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 164955057

Frequently Asked Questions

What is the IUPAC name of 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (CID 164961326) is 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5oc6ccc7c8ccccc8oc7c6c45)c3)cc2)cc1.
What is the InChIKey of 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is YGRGYNDOOZANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-11-34(12-3-1)35-23-27-39(28-24-35)53(40-29-25-37(26-30-40)43-19-9-14-36-13-4-5-17-42(36)43)41-16-8-15-38(33-41)44-20-10-22-48-50(44)51-49(54-48)32-31-46-45-18-6-7-21-47(45)55-52(46)51/h1-33H.
What are the key properties of 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(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-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 164961326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).