N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

C51H35NO — CID 170140187

IUPACN-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccc6c7ccccc7ccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C51H35NO/c1-51(2)46-16-7-5-13-41(46)42-28-24-37(31-47(42)51)52(36-25-29-49-45(30-36)43-14-6-8-17-48(43)53-49)35-22-18-33(19-23-35)39-15-9-11-34-21-26-40-38-12-4-3-10-32(38)20-27-44(40)50(34)39/h3-31H,1-2H3
InChIKeyBRVYYYIFTAGQEO-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.49
Rot. Bonds4

About N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 170140187) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
PubChem CID170140187
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC NameN-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccc6c7ccccc7ccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C51H35NO/c1-51(2)46-16-7-5-13-41(46)42-28-24-37(31-47(42)51)52(36-25-29-49-45(30-36)43-14-6-8-17-48(43)53-49)35-22-18-33(19-23-35)39-15-9-11-34-21-26-40-38-12-4-3-10-32(38)20-27-44(40)50(34)39/h3-31H,1-2H3
InChIKeyBRVYYYIFTAGQEO-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.49
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-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)fluoren-2-amine
CID 170035031
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzofuran-2-amine
CID 138568672
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]fluoren-2-amine
CID 167121573
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
7-dibenzofuran-2-yl-9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121327924
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (CID 170140187) is N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccc6c7ccccc7ccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The InChIKey is BRVYYYIFTAGQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)46-16-7-5-13-41(46)42-28-24-37(31-47(42)51)52(36-25-29-49-45(30-36)43-14-6-8-17-48(43)53-49)35-22-18-33(19-23-35)39-15-9-11-34-21-26-40-38-12-4-3-10-32(38)20-27-44(40)50(34)39/h3-31H,1-2H3.
What are the key properties of N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine has a molecular weight of 677.85 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 170140187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).