N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine

C56H36N2O — CID 88534208

IUPACN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C56H36N2O/c1-57-44-27-31-46(32-28-44)58(45-29-24-39(25-30-45)38-20-22-40(23-21-38)41-26-34-51-50-17-9-11-19-54(50)59-55(51)36-41)47-33-35-49-48-16-8-10-18-52(48)56(53(49)37-47,42-12-4-2-5-13-42)43-14-6-3-7-15-43/h2-37H
InChIKeyWRMPNMGHMNUUFK-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.30
Rot. Bonds7

About N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine

N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 88534208) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine
PubChem CID88534208
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C56H36N2O/c1-57-44-27-31-46(32-28-44)58(45-29-24-39(25-30-45)38-20-22-40(23-21-38)41-26-34-51-50-17-9-11-19-54(50)59-55(51)36-41)47-33-35-49-48-16-8-10-18-52(48)56(53(49)37-47,42-12-4-2-5-13-42)43-14-6-3-7-15-43/h2-37H
InChIKeyWRMPNMGHMNUUFK-UHFFFAOYSA-N
XLogP15.30
TPSA20.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
N-(9,9-dimethylfluoren-2-yl)-7-[7-[N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)anilino]-9,9-dimethylfluoren-2-yl]-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540137
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine (CID 88534208) is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine is [C-]#[N+]c1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is WRMPNMGHMNUUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-57-44-27-31-46(32-28-44)58(45-29-24-39(25-30-45)38-20-22-40(23-21-38)41-26-34-51-50-17-9-11-19-54(50)59-55(51)36-41)47-33-35-49-48-16-8-10-18-52(48)56(53(49)37-47,42-12-4-2-5-13-42)43-14-6-3-7-15-43/h2-37H.
What are the key properties of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine?
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 752.92 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 88534208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).