N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline

C76H56N2O2 — CID 121322890

IUPACN-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2cc(C)c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C76H56N2O2/c1-49-43-59(44-50(2)75(49)77(69-27-15-11-23-63(69)55-19-7-5-8-20-55)61-37-31-53(32-38-61)57-35-41-73-67(47-57)65-25-13-17-29-71(65)79-73)60-45-51(3)76(52(4)46-60)78(70-28-16-12-24-64(70)56-21-9-6-10-22-56)62-39-33-54(34-40-62)58-36-42-74-68(48-58)66-26-14-18-30-72(66)80-74/h5-48H,1-4H3
InChIKeyDYIGCIUZDXOADC-UHFFFAOYSA-N
MW1029.30 g/mol
LogP21.99
Rot. Bonds11

About N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline (PubChem CID 121322890) has the molecular formula C76H56N2O2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline
PubChem CID121322890
Molecular FormulaC76H56N2O2
Molecular Weight1029.30 g/mol
Exact Mass1028.43
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2cc(C)c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C76H56N2O2/c1-49-43-59(44-50(2)75(49)77(69-27-15-11-23-63(69)55-19-7-5-8-20-55)61-37-31-53(32-38-61)57-35-41-73-67(47-57)65-25-13-17-29-71(65)79-73)60-45-51(3)76(52(4)46-60)78(70-28-16-12-24-64(70)56-21-9-6-10-22-56)62-39-33-54(34-40-62)58-36-42-74-68(48-58)66-26-14-18-30-72(66)80-74/h5-48H,1-4H3
InChIKeyDYIGCIUZDXOADC-UHFFFAOYSA-N
XLogP21.99
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.30
LogP ≤ 521.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine
CID 121323324
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
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
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
CID 121323235
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-phenylphenyl)dibenzofuran-3-amine
CID 174322022
2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 121323341
4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
CID 121322882

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline (CID 121322890) is N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline is Cc1cc(-c2cc(C)c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline?
The InChIKey is DYIGCIUZDXOADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N2O2/c1-49-43-59(44-50(2)75(49)77(69-27-15-11-23-63(69)55-19-7-5-8-20-55)61-37-31-53(32-38-61)57-35-41-73-67(47-57)65-25-13-17-29-71(65)79-73)60-45-51(3)76(52(4)46-60)78(70-28-16-12-24-64(70)56-21-9-6-10-22-56)62-39-33-54(34-40-62)58-36-42-74-68(48-58)66-26-14-18-30-72(66)80-74/h5-48H,1-4H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline has a molecular weight of 1029.30 g/mol, XLogP of 21.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 121322890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).