4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline

C54H37NO — CID 135277346

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H37NO/c1-4-12-38(13-5-1)41-20-22-45(23-21-41)53-49(36-37-51-50-18-10-11-19-52(50)56-54(51)53)44-28-34-48(35-29-44)55(46-30-24-42(25-31-46)39-14-6-2-7-15-39)47-32-26-43(27-33-47)40-16-8-3-9-17-40/h1-37H
InChIKeyQQHQFXMFYLHHEL-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline (PubChem CID 135277346) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
PubChem CID135277346
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H37NO/c1-4-12-38(13-5-1)41-20-22-45(23-21-41)53-49(36-37-51-50-18-10-11-19-52(50)56-54(51)53)44-28-34-48(35-29-44)55(46-30-24-42(25-31-46)39-14-6-2-7-15-39)47-32-26-43(27-33-47)40-16-8-3-9-17-40/h1-37H
InChIKeyQQHQFXMFYLHHEL-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160729706
N,N-diphenyl-4-[6-(4-phenylphenyl)-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 170535971
N-[4-(7-dibenzofuran-4-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-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170536120
N-[4-(6-dibenzofuran-4-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)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170535903
4-phenyl-N-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171433284
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160597772
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315073

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline (CID 135277346) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline is c1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline?
The InChIKey is QQHQFXMFYLHHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-4-12-38(13-5-1)41-20-22-45(23-21-41)53-49(36-37-51-50-18-10-11-19-52(50)56-54(51)53)44-28-34-48(35-29-44)55(46-30-24-42(25-31-46)39-14-6-2-7-15-39)47-32-26-43(27-33-47)40-16-8-3-9-17-40/h1-37H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline is sourced from PubChem (CID 135277346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).