N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine

C50H36N2O — CID 167274016

IUPACN-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21CC2C3CCC1C32
InChIInChI=1S/C50H36N2O/c1-5-14-40-38(13-1)49-41(50(40)29-39-37-26-27-42(50)48(37)39)15-9-18-45(49)51(32-24-25-36-35-12-4-8-19-46(35)53-47(36)28-32)30-20-22-31(23-21-30)52-43-16-6-2-10-33(43)34-11-3-7-17-44(34)52/h1-25,28,37,39,42,48H,26-27,29H2
InChIKeyBGVPBGDREUWMQL-UHFFFAOYSA-N
MW680.85 g/mol
LogP13.10
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine

N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine (PubChem CID 167274016) has the molecular formula C50H36N2O and a molecular weight of 680.85 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine
PubChem CID167274016
Molecular FormulaC50H36N2O
Molecular Weight680.85 g/mol
Exact Mass680.28
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21CC2C3CCC1C32
InChIInChI=1S/C50H36N2O/c1-5-14-40-38(13-1)49-41(50(40)29-39-37-26-27-42(50)48(37)39)15-9-18-45(49)51(32-24-25-36-35-12-4-8-19-46(35)53-47(36)28-32)30-20-22-31(23-21-30)52-43-16-6-2-10-33(43)34-11-3-7-17-44(34)52/h1-25,28,37,39,42,48H,26-27,29H2
InChIKeyBGVPBGDREUWMQL-UHFFFAOYSA-N
XLogP13.10
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
N-dibenzofuran-2-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-dibenzofuran-3-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine;N-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
CID 157254887
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-8-(9-phenylcarbazol-3-yl)dibenzofuran-3-amine
CID 129180885
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277095
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-2-amine
CID 162170787
N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 176956264
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine
CID 160939308
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508488
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
CID 171727025

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine (CID 167274016) is N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine is c1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21CC2C3CCC1C32.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine?
The InChIKey is BGVPBGDREUWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O/c1-5-14-40-38(13-1)49-41(50(40)29-39-37-26-27-42(50)48(37)39)15-9-18-45(49)51(32-24-25-36-35-12-4-8-19-46(35)53-47(36)28-32)30-20-22-31(23-21-30)52-43-16-6-2-10-33(43)34-11-3-7-17-44(34)52/h1-25,28,37,39,42,48H,26-27,29H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine?
N-(4-carbazol-9-ylphenyl)-N-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine has a molecular weight of 680.85 g/mol, XLogP of 13.10, 4 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-spiro[fluorene-9,4'-tricyclo[3.3.0.02,8]octane]-4-yldibenzofuran-3-amine is sourced from PubChem (CID 167274016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).