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

C57H37NO — CID 121400531

IUPACN-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H37NO/c1-2-15-41(16-3-1)57(52-23-11-8-19-47(52)48-20-9-12-24-53(48)57)42-30-26-38(27-31-42)39-28-32-43(33-29-39)58(44-34-35-51-50-22-10-13-25-55(50)59-56(51)37-44)54-36-40-14-4-5-17-45(40)46-18-6-7-21-49(46)54/h1-37H
InChIKeyVQJZQIZTUASNLB-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.39
Rot. Bonds6

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

N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 121400531) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID121400531
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H37NO/c1-2-15-41(16-3-1)57(52-23-11-8-19-47(52)48-20-9-12-24-53(48)57)42-30-26-38(27-31-42)39-28-32-43(33-29-39)58(44-34-35-51-50-22-10-13-25-55(50)59-56(51)37-44)54-36-40-14-4-5-17-45(40)46-18-6-7-21-49(46)54/h1-37H
InChIKeyVQJZQIZTUASNLB-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.39
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-9-yldibenzofuran-2-amine
CID 118405737
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
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-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine (CID 121400531) is N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(C2(c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is VQJZQIZTUASNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-2-15-41(16-3-1)57(52-23-11-8-19-47(52)48-20-9-12-24-53(48)57)42-30-26-38(27-31-42)39-28-32-43(33-29-39)58(44-34-35-51-50-22-10-13-25-55(50)59-56(51)37-44)54-36-40-14-4-5-17-45(40)46-18-6-7-21-49(46)54/h1-37H.
What are the key properties of N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine?
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 751.93 g/mol, XLogP of 15.39, 6 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-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121400531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).