N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline

C40H27NO — CID 168807436

IUPACN,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)oc2ccc4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c23)cc1
InChIInChI=1S/C40H27NO/c1-4-11-28(12-5-1)31-21-25-36-38(27-31)42-37-26-22-30-13-10-18-35(39(30)40(36)37)29-19-23-34(24-20-29)41(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27H
InChIKeyRHIGOARVYBRWQG-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline

N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline (PubChem CID 168807436) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline
PubChem CID168807436
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)oc2ccc4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c23)cc1
InChIInChI=1S/C40H27NO/c1-4-11-28(12-5-1)31-21-25-36-38(27-31)42-37-26-22-30-13-10-18-35(39(30)40(36)37)29-19-23-34(24-20-29)41(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27H
InChIKeyRHIGOARVYBRWQG-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158392886
9,9-dimethyl-N-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 168807283
N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807244
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,4-diphenylaniline
CID 138651647
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300583
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
7-phenyl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352672
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170229719
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
4-N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 122599250
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline (CID 168807436) is N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline is c1ccc(-c2ccc3c(c2)oc2ccc4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c23)cc1.
What is the InChIKey of N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline?
The InChIKey is RHIGOARVYBRWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-11-28(12-5-1)31-21-25-36-38(27-31)42-37-26-22-30-13-10-18-35(39(30)40(36)37)29-19-23-34(24-20-29)41(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27H.
What are the key properties of N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline?
N,N-diphenyl-4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline has a molecular weight of 537.66 g/mol, XLogP of 11.54, 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-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)aniline is sourced from PubChem (CID 168807436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).