N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C52H37NO — CID 174273085

IUPACN-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=CC2C=Cc3c(oc4ccc(-c5ccccc5N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc5)cc34)C2C=C1
InChIInChI=1S/C52H37NO/c1-3-13-36(14-4-1)37-23-25-38(26-24-37)39-27-31-43(32-28-39)53(49-21-11-9-18-44(49)40-15-5-2-6-16-40)50-22-12-10-19-45(50)42-30-34-51-48(35-42)47-33-29-41-17-7-8-20-46(41)52(47)54-51/h1-35,41,46H
InChIKeyRQJQDFVOWMIOOK-UHFFFAOYSA-N
MW691.87 g/mol
LogP14.42
Rot. Bonds7

About N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 174273085) has the molecular formula C52H37NO and a molecular weight of 691.87 g/mol. Its IUPAC name is N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID174273085
Molecular FormulaC52H37NO
Molecular Weight691.87 g/mol
Exact Mass691.29
IUPAC NameN-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=CC2C=Cc3c(oc4ccc(-c5ccccc5N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc5)cc34)C2C=C1
InChIInChI=1S/C52H37NO/c1-3-13-36(14-4-1)37-23-25-38(26-24-37)39-27-31-43(32-28-39)53(49-21-11-9-18-44(49)40-15-5-2-6-16-40)50-22-12-10-19-45(50)42-30-34-51-48(35-42)47-33-29-41-17-7-8-20-46(41)52(47)54-51/h1-35,41,46H
InChIKeyRQJQDFVOWMIOOK-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-6,7-dihydrodibenzofuran-3-amine
CID 142406058
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-[4-(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-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
2-(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-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170667914
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[4-[6-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[2-[3-[2-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-[2-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158773609
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132

Frequently Asked Questions

What is the IUPAC name of N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 174273085) is N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is C1=CC2C=Cc3c(oc4ccc(-c5ccccc5N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc5)cc34)C2C=C1.
What is the InChIKey of N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RQJQDFVOWMIOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO/c1-3-13-36(14-4-1)37-23-25-38(26-24-37)39-27-31-43(32-28-39)53(49-21-11-9-18-44(49)40-15-5-2-6-16-40)50-22-12-10-19-45(50)42-30-34-51-48(35-42)47-33-29-41-17-7-8-20-46(41)52(47)54-51/h1-35,41,46H.
What are the key properties of N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 691.87 g/mol, XLogP of 14.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4a,11b-dihydronaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 174273085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).