N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine

C51H33NO — CID 121400530

IUPACN-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H33NO/c1-2-15-35(16-3-1)51(46-23-11-8-19-41(46)42-20-9-12-24-47(42)51)36-26-28-37(29-27-36)52(38-30-31-45-44-22-10-13-25-49(44)53-50(45)33-38)48-32-34-14-4-5-17-39(34)40-18-6-7-21-43(40)48/h1-33H
InChIKeyZSFJOAGMCLWZJX-UHFFFAOYSA-N
MW675.83 g/mol
LogP13.73
Rot. Bonds5

About N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine

N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine (PubChem CID 121400530) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
PubChem CID121400530
Molecular FormulaC51H33NO
Molecular Weight675.83 g/mol
Exact Mass675.26
IUPAC NameN-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H33NO/c1-2-15-35(16-3-1)51(46-23-11-8-19-41(46)42-20-9-12-24-47(42)51)36-26-28-37(29-27-36)52(38-30-31-45-44-22-10-13-25-49(44)53-50(45)33-38)48-32-34-14-4-5-17-39(34)40-18-6-7-21-43(40)48/h1-33H
InChIKeyZSFJOAGMCLWZJX-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-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167234281
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-(10,10-diphenyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-3-amine
CID 168740238
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
CID 89295879
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine (CID 121400530) is N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine is c1ccc(C2(c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is ZSFJOAGMCLWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-2-15-35(16-3-1)51(46-23-11-8-19-41(46)42-20-9-12-24-47(42)51)36-26-28-37(29-27-36)52(38-30-31-45-44-22-10-13-25-49(44)53-50(45)33-38)48-32-34-14-4-5-17-39(34)40-18-6-7-21-43(40)48/h1-33H.
What are the key properties of N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine?
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-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-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121400530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).