N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H37NO2 — CID 170535752

IUPACN-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)c5c4oc4ccc6oc7ccccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-11-38(12-4-1)41-21-27-46(28-22-41)59(47-29-23-42(24-30-47)39-13-5-2-6-14-39)48-31-25-43(26-32-48)50-34-33-49(45-20-19-40-15-7-8-16-44(40)37-45)56-57-54(61-58(50)56)36-35-53-55(57)51-17-9-10-18-52(51)60-53/h1-37H
InChIKeyBQXOVXXRVVRWFN-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

About N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170535752) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170535752
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)c5c4oc4ccc6oc7ccccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-11-38(12-4-1)41-21-27-46(28-22-41)59(47-29-23-42(24-30-47)39-13-5-2-6-14-39)48-31-25-43(26-32-48)50-34-33-49(45-20-19-40-15-7-8-16-44(40)37-45)56-57-54(61-58(50)56)36-35-53-55(57)51-17-9-10-18-52(51)60-53/h1-37H
InChIKeyBQXOVXXRVVRWFN-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)-N,N-diphenylaniline
CID 170536400
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
CID 169048396
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 170535752) is N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)c5c4oc4ccc6oc7ccccc7c6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BQXOVXXRVVRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-11-38(12-4-1)41-21-27-46(28-22-41)59(47-29-23-42(24-30-47)39-13-5-2-6-14-39)48-31-25-43(26-32-48)50-34-33-49(45-20-19-40-15-7-8-16-44(40)37-45)56-57-54(61-58(50)56)36-35-53-55(57)51-17-9-10-18-52(51)60-53/h1-37H.
What are the key properties of N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170535752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).