N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline

C52H33NO — CID 169280672

IUPACN,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4c5ccccc5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-3-15-36(16-4-1)53(37-17-5-2-6-18-37)38-30-27-34(28-31-38)49-44-23-11-12-24-45(44)52-51(46-25-13-14-26-48(46)54-52)50(49)35-29-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-35/h1-33H
InChIKeyDJAUJBVTIRSFAT-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline

N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline (PubChem CID 169280672) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline
PubChem CID169280672
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4c5ccccc5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-3-15-36(16-4-1)53(37-17-5-2-6-18-37)38-30-27-34(28-31-38)49-44-23-11-12-24-45(44)52-51(46-25-13-14-26-48(46)54-52)50(49)35-29-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-35/h1-33H
InChIKeyDJAUJBVTIRSFAT-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
N,N-diphenyl-4-(5-triphenylen-2-yl-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 170535871
N,N-bis(4-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465201
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 169280437
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline (CID 169280672) is N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4c5ccccc5oc4c4ccccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline?
The InChIKey is DJAUJBVTIRSFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-3-15-36(16-4-1)53(37-17-5-2-6-18-37)38-30-27-34(28-31-38)49-44-23-11-12-24-45(44)52-51(46-25-13-14-26-48(46)54-52)50(49)35-29-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-35/h1-33H.
What are the key properties of N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline?
N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(6-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)aniline is sourced from PubChem (CID 169280672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).