N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine

C58H44N2O — CID 156573768

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C58H44N2O/c1-5-16-52-46(10-1)51-35-44(28-29-53(51)58(52)39-31-36-30-37(33-39)34-40(58)32-36)59(41-22-20-38(21-23-41)45-14-9-15-50-49-13-4-8-19-56(49)61-57(45)50)42-24-26-43(27-25-42)60-54-17-6-2-11-47(54)48-12-3-7-18-55(48)60/h1-29,35-37,39-40H,30-34H2
InChIKeyURLNXQWPSFOAHD-UHFFFAOYSA-N
MW785.00 g/mol
LogP15.54
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 156573768) has the molecular formula C58H44N2O and a molecular weight of 785.00 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID156573768
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C58H44N2O/c1-5-16-52-46(10-1)51-35-44(28-29-53(51)58(52)39-31-36-30-37(33-39)34-40(58)32-36)59(41-22-20-38(21-23-41)45-14-9-15-50-49-13-4-8-19-56(49)61-57(45)50)42-24-26-43(27-25-42)60-54-17-6-2-11-47(54)48-12-3-7-18-55(48)60/h1-29,35-37,39-40H,30-34H2
InChIKeyURLNXQWPSFOAHD-UHFFFAOYSA-N
XLogP15.54
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane
CID 163790802
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 163969722
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 168722436
CID 159039073
CID 159039073
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 158915505

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 156573768) is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is URLNXQWPSFOAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-5-16-52-46(10-1)51-35-44(28-29-53(51)58(52)39-31-36-30-37(33-39)34-40(58)32-36)59(41-22-20-38(21-23-41)45-14-9-15-50-49-13-4-8-19-56(49)61-57(45)50)42-24-26-43(27-25-42)60-54-17-6-2-11-47(54)48-12-3-7-18-55(48)60/h1-29,35-37,39-40H,30-34H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 785.00 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 156573768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).