N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline

C62H45NO — CID 155374491

IUPACN-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESC1=Cc2c(cccc2-c2ccc(-c3ccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(C5CC=Cc6c5oc5ccccc65)cc4)cc3)cc2)CC1
InChIInChI=1S/C62H45NO/c1-2-13-50-41-51(32-27-42(50)11-1)45-33-37-52(38-34-45)63(53-39-35-49(36-40-53)57-19-10-20-59-58-17-6-8-22-61(58)64-62(57)59)60-21-7-5-16-56(60)48-30-25-44(26-31-48)43-23-28-47(29-24-43)55-18-9-14-46-12-3-4-15-54(46)55/h1-2,4-11,13-18,20-41,57H,3,12,19H2
InChIKeyFAQQMSVQGHYLBU-UHFFFAOYSA-N
MW820.05 g/mol
LogP17.23
Rot. Bonds8

About N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline

N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 155374491) has the molecular formula C62H45NO and a molecular weight of 820.05 g/mol. Its IUPAC name is N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID155374491
Molecular FormulaC62H45NO
Molecular Weight820.05 g/mol
Exact Mass819.35
IUPAC NameN-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESC1=Cc2c(cccc2-c2ccc(-c3ccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(C5CC=Cc6c5oc5ccccc65)cc4)cc3)cc2)CC1
InChIInChI=1S/C62H45NO/c1-2-13-50-41-51(32-27-42(50)11-1)45-33-37-52(38-34-45)63(53-39-35-49(36-40-53)57-19-10-20-59-58-17-6-8-22-61(58)64-62(57)59)60-21-7-5-16-56(60)48-30-25-44(26-31-48)43-23-28-47(29-24-43)55-18-9-14-46-12-3-4-15-54(46)55/h1-2,4-11,13-18,20-41,57H,3,12,19H2
InChIKeyFAQQMSVQGHYLBU-UHFFFAOYSA-N
XLogP17.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline with MolForge

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Related Compounds

N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
CID 174273303
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 154961760
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118186893
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine
CID 163884600
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N-(4-dibenzofuran-1-ylphenyl)-N,2-bis(4-phenanthren-3-ylphenyl)aniline
CID 176810395
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (CID 155374491) is N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is C1=Cc2c(cccc2-c2ccc(-c3ccc(-c4ccccc4N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(C5CC=Cc6c5oc5ccccc65)cc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is FAQQMSVQGHYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45NO/c1-2-13-50-41-51(32-27-42(50)11-1)45-33-37-52(38-34-45)63(53-39-35-49(36-40-53)57-19-10-20-59-58-17-6-8-22-61(58)64-62(57)59)60-21-7-5-16-56(60)48-30-25-44(26-31-48)43-23-28-47(29-24-43)55-18-9-14-46-12-3-4-15-54(46)55/h1-2,4-11,13-18,20-41,57H,3,12,19H2.
What are the key properties of N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 820.05 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 155374491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).