N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline

C68H43NO2 — CID 169064163

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C68H43NO2/c1-3-15-47(16-4-1)65-59-22-8-7-19-55(59)56-42-35-49(43-62(56)66(65)48-17-5-2-6-18-48)44-29-36-50(37-30-44)69(51-38-31-45(32-39-51)53-23-13-25-60-57-20-9-11-27-63(57)70-67(53)60)52-40-33-46(34-41-52)54-24-14-26-61-58-21-10-12-28-64(58)71-68(54)61/h1-43H
InChIKeySPJOOOMYGPMCKL-UHFFFAOYSA-N
MW906.10 g/mol
LogP19.60
Rot. Bonds8

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline (PubChem CID 169064163) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
PubChem CID169064163
Molecular FormulaC68H43NO2
Molecular Weight906.10 g/mol
Exact Mass905.33
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C68H43NO2/c1-3-15-47(16-4-1)65-59-22-8-7-19-55(59)56-42-35-49(43-62(56)66(65)48-17-5-2-6-18-48)44-29-36-50(37-30-44)69(51-38-31-45(32-39-51)53-23-13-25-60-57-20-9-11-27-63(57)70-67(53)60)52-40-33-46(34-41-52)54-24-14-26-61-58-21-10-12-28-64(58)71-68(54)61/h1-43H
InChIKeySPJOOOMYGPMCKL-UHFFFAOYSA-N
XLogP19.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.10
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
CID 169063678
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-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
CID 168805250

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline (CID 169064163) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline?
The InChIKey is SPJOOOMYGPMCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO2/c1-3-15-47(16-4-1)65-59-22-8-7-19-55(59)56-42-35-49(43-62(56)66(65)48-17-5-2-6-18-48)44-29-36-50(37-30-44)69(51-38-31-45(32-39-51)53-23-13-25-60-57-20-9-11-27-63(57)70-67(53)60)52-40-33-46(34-41-52)54-24-14-26-61-58-21-10-12-28-64(58)71-68(54)61/h1-43H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline has a molecular weight of 906.10 g/mol, XLogP of 19.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline is sourced from PubChem (CID 169064163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).