N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine

C51H37NO — CID 144660759

IUPACN-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(C3C=CC(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4oc4ccccc45)=CC3)cc21
InChIInChI=1S/C51H37NO/c1-51(2)46-19-9-7-16-41(46)42-28-24-33(30-47(42)51)32-22-25-34(26-23-32)52(48-20-11-18-44-43-17-8-10-21-49(43)53-50(44)48)35-27-29-40-38-14-4-3-12-36(38)37-13-5-6-15-39(37)45(40)31-35/h3-22,24-32H,23H2,1-2H3
InChIKeyXZTAYEPGJUQMHG-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.12
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine

N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine (PubChem CID 144660759) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine
PubChem CID144660759
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(C3C=CC(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4oc4ccccc45)=CC3)cc21
InChIInChI=1S/C51H37NO/c1-51(2)46-19-9-7-16-41(46)42-28-24-33(30-47(42)51)32-22-25-34(26-23-32)52(48-20-11-18-44-43-17-8-10-21-49(43)53-50(44)48)35-27-29-40-38-14-4-3-12-36(38)37-13-5-6-15-39(37)45(40)31-35/h3-22,24-32H,23H2,1-2H3
InChIKeyXZTAYEPGJUQMHG-UHFFFAOYSA-N
XLogP14.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
5-[4-(N-dibenzofuran-4-ylanilino)-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121275433
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
5-N,16-N-di(dibenzofuran-4-yl)-5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633431
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine (CID 144660759) is N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(C3C=CC(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4oc4ccccc45)=CC3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine?
The InChIKey is XZTAYEPGJUQMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)46-19-9-7-16-41(46)42-28-24-33(30-47(42)51)32-22-25-34(26-23-32)52(48-20-11-18-44-43-17-8-10-21-49(43)53-50(44)48)35-27-29-40-38-14-4-3-12-36(38)37-13-5-6-15-39(37)45(40)31-35/h3-22,24-32H,23H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine?
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine has a molecular weight of 679.86 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 144660759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).