N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine

C104H66N2O2 — CID 170014571

IUPACN-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4cccc(-c5cccc6c(-c7ccc8c9ccccc9c9cc(N(c%10ccccc%10-c%10cccc(-c%11cccc%12ccccc%11%12)c%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc9c8c7)cccc56)c4)c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C104H66N2O2/c1-2-24-67(25-3-1)70-28-16-29-71(62-70)68-54-57-77(58-55-68)105(99-50-22-46-93-91-39-10-14-52-101(91)107-103(93)99)97-48-12-8-35-83(97)75-33-18-31-73(64-75)81-42-20-45-86-82(43-21-44-85(81)86)76-56-60-89-87-37-6-7-38-88(87)96-66-78(59-61-90(96)95(89)65-76)106(100-51-23-47-94-92-40-11-15-53-102(92)108-104(94)100)98-49-13-9-36-84(98)74-32-17-30-72(63-74)80-41-19-27-69-26-4-5-34-79(69)80/h1-66H
InChIKeyKCEPSSCBJBYMHT-UHFFFAOYSA-N
MW1375.68 g/mol
LogP29.86
Rot. Bonds13

About N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine

N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 170014571) has the molecular formula C104H66N2O2 and a molecular weight of 1375.68 g/mol. Its IUPAC name is N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID170014571
Molecular FormulaC104H66N2O2
Molecular Weight1375.68 g/mol
Exact Mass1374.51
IUPAC NameN-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4cccc(-c5cccc6c(-c7ccc8c9ccccc9c9cc(N(c%10ccccc%10-c%10cccc(-c%11cccc%12ccccc%11%12)c%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc9c8c7)cccc56)c4)c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C104H66N2O2/c1-2-24-67(25-3-1)70-28-16-29-71(62-70)68-54-57-77(58-55-68)105(99-50-22-46-93-91-39-10-14-52-101(91)107-103(93)99)97-48-12-8-35-83(97)75-33-18-31-73(64-75)81-42-20-45-86-82(43-21-44-85(81)86)76-56-60-89-87-37-6-7-38-88(87)96-66-78(59-61-90(96)95(89)65-76)106(100-51-23-47-94-92-40-11-15-53-102(92)108-104(94)100)98-49-13-9-36-84(98)74-32-17-30-72(63-74)80-41-19-27-69-26-4-5-34-79(69)80/h1-66H
InChIKeyKCEPSSCBJBYMHT-UHFFFAOYSA-N
XLogP29.86
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.68
LogP ≤ 529.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine with MolForge

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Related Compounds

N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170014502
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 155374438
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739651
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 170014571) is N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4cccc(-c5cccc6c(-c7ccc8c9ccccc9c9cc(N(c%10ccccc%10-c%10cccc(-c%11cccc%12ccccc%11%12)c%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc9c8c7)cccc56)c4)c4cccc5c4oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is KCEPSSCBJBYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H66N2O2/c1-2-24-67(25-3-1)70-28-16-29-71(62-70)68-54-57-77(58-55-68)105(99-50-22-46-93-91-39-10-14-52-101(91)107-103(93)99)97-48-12-8-35-83(97)75-33-18-31-73(64-75)81-42-20-45-86-82(43-21-44-85(81)86)76-56-60-89-87-37-6-7-38-88(87)96-66-78(59-61-90(96)95(89)65-76)106(100-51-23-47-94-92-40-11-15-53-102(92)108-104(94)100)98-49-13-9-36-84(98)74-32-17-30-72(63-74)80-41-19-27-69-26-4-5-34-79(69)80/h1-66H.
What are the key properties of N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 1375.68 g/mol, XLogP of 29.86, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170014571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).