N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine

C159H103N3OS2 — CID 158532816

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H37NO.2C51H33NS/c1-2-14-41(15-3-1)57(53-22-9-6-17-49(53)50-18-7-10-23-54(50)57)42-29-33-44(34-30-42)58(45-35-36-47-40(37-45)26-25-38-13-4-5-16-46(38)47)43-31-27-39(28-32-43)48-20-12-21-52-51-19-8-11-24-55(51)59-56(48)52;1-2-14-36(15-3-1)51(46-21-9-6-17-42(46)43-18-7-10-22-47(43)51)37-27-29-38(30-28-37)52(48-23-12-20-45-44-19-8-11-24-49(44)53-50(45)48)39-31-32-41-35(33-39)26-25-34-13-4-5-16-40(34)41;1-2-13-36(14-3-1)51(47-19-9-6-16-43(47)44-17-7-10-20-48(44)51)37-24-26-38(27-25-37)52(40-29-31-50-46(33-40)45-18-8-11-21-49(45)53-50)39-28-30-42-35(32-39)23-22-34-12-4-5-15-41(34)42/h1-37H;2*1-33H
InChIKeyHNOSXOHGQQAGRC-UHFFFAOYSA-N
MW2135.73 g/mol
LogP43.78
Rot. Bonds16

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 158532816) has the molecular formula C159H103N3OS2 and a molecular weight of 2135.73 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
PubChem CID158532816
Molecular FormulaC159H103N3OS2
Molecular Weight2135.73 g/mol
Exact Mass2133.75
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H37NO.2C51H33NS/c1-2-14-41(15-3-1)57(53-22-9-6-17-49(53)50-18-7-10-23-54(50)57)42-29-33-44(34-30-42)58(45-35-36-47-40(37-45)26-25-38-13-4-5-16-46(38)47)43-31-27-39(28-32-43)48-20-12-21-52-51-19-8-11-24-55(51)59-56(48)52;1-2-14-36(15-3-1)51(46-21-9-6-17-42(46)43-18-7-10-22-47(43)51)37-27-29-38(30-28-37)52(48-23-12-20-45-44-19-8-11-24-49(44)53-50(45)48)39-31-32-41-35(33-39)26-25-34-13-4-5-16-40(34)41;1-2-13-36(14-3-1)51(47-19-9-6-16-43(47)44-17-7-10-20-48(44)51)37-24-26-38(27-25-37)52(40-29-31-50-46(33-40)45-18-8-11-21-49(45)53-50)39-28-30-42-35(32-39)23-22-34-12-4-5-15-41(34)42/h1-37H;2*1-33H
InChIKeyHNOSXOHGQQAGRC-UHFFFAOYSA-N
XLogP43.78
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002135.73
LogP ≤ 543.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

4-dibenzofuran-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 161095184
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593367
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 162198372
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 158068867
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine (CID 158532816) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine is c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4cccc5c4sc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is HNOSXOHGQQAGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO.2C51H33NS/c1-2-14-41(15-3-1)57(53-22-9-6-17-49(53)50-18-7-10-23-54(50)57)42-29-33-44(34-30-42)58(45-35-36-47-40(37-45)26-25-38-13-4-5-16-46(38)47)43-31-27-39(28-32-43)48-20-12-21-52-51-19-8-11-24-55(51)59-56(48)52;1-2-14-36(15-3-1)51(46-21-9-6-17-42(46)43-18-7-10-22-47(43)51)37-27-29-38(30-28-37)52(48-23-12-20-45-44-19-8-11-24-49(44)53-50(45)48)39-31-32-41-35(33-39)26-25-34-13-4-5-16-40(34)41;1-2-13-36(14-3-1)51(47-19-9-6-16-43(47)44-17-7-10-20-48(44)51)37-24-26-38(27-25-37)52(40-29-31-50-46(33-40)45-18-8-11-21-49(45)53-50)39-28-30-42-35(32-39)23-22-34-12-4-5-15-41(34)42/h1-37H;2*1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2135.73 g/mol, XLogP of 43.78, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 158532816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).