N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine

C51H33NO — CID 118405737

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C51H33NO/c1-3-16-35(17-4-1)51(36-18-5-2-6-19-36)46-25-13-11-22-41(46)42-29-27-38(33-47(42)51)52(37-28-30-50-45(32-37)44-24-12-14-26-49(44)53-50)48-31-34-15-7-8-20-39(34)40-21-9-10-23-43(40)48/h1-33H
InChIKeyDFMDRJMWDXDOTN-UHFFFAOYSA-N
MW675.83 g/mol
LogP13.73
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 118405737) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
PubChem CID118405737
Molecular FormulaC51H33NO
Molecular Weight675.83 g/mol
Exact Mass675.26
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C51H33NO/c1-3-16-35(17-4-1)51(36-18-5-2-6-19-36)46-25-13-11-22-41(46)42-29-27-38(33-47(42)51)52(37-28-30-50-45(32-37)44-24-12-14-26-49(44)53-50)48-31-34-15-7-8-20-39(34)40-21-9-10-23-43(40)48/h1-33H
InChIKeyDFMDRJMWDXDOTN-UHFFFAOYSA-N
XLogP13.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.83
LogP ≤ 513.73
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-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
CID 171453294
N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167234281

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine (CID 118405737) is N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine?
The InChIKey is DFMDRJMWDXDOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-3-16-35(17-4-1)51(36-18-5-2-6-19-36)46-25-13-11-22-41(46)42-29-27-38(33-47(42)51)52(37-28-30-50-45(32-37)44-24-12-14-26-49(44)53-50)48-31-34-15-7-8-20-39(34)40-21-9-10-23-43(40)48/h1-33H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine has a molecular weight of 675.83 g/mol, XLogP of 13.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine is sourced from PubChem (CID 118405737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).