3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline

C52H33NO2 — CID 170032090

IUPAC3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-13-8-12-38(33-42)44-16-9-17-46-45-14-4-6-18-48(45)55-52(44)46)41-28-22-36(23-29-41)37-24-30-43-39(32-37)25-31-50-51(43)47-15-5-7-19-49(47)54-50/h1-33H
InChIKeyHDRKEWSCPPNMLR-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline

3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170032090) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170032090
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC Name3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-13-8-12-38(33-42)44-16-9-17-46-45-14-4-6-18-48(45)55-52(44)46)41-28-22-36(23-29-41)37-24-30-43-39(32-37)25-31-50-51(43)47-15-5-7-19-49(47)54-50/h1-33H
InChIKeyHDRKEWSCPPNMLR-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

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170127531
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170941914
N-[3-(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-nonaen-18-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 164951796
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)-N-phenyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159701047
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline (CID 170032090) is 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is HDRKEWSCPPNMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-13-8-12-38(33-42)44-16-9-17-46-45-14-4-6-18-48(45)55-52(44)46)41-28-22-36(23-29-41)37-24-30-43-39(32-37)25-31-50-51(43)47-15-5-7-19-49(47)54-50/h1-33H.
What are the key properties of 3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-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-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170032090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).