N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine

C174H113N3O2 — CID 163783500

IUPACN-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1ccccc1-c1ccccc1
InChIInChI=1S/2C58H37NO.C58H39N/c1-2-15-39(16-3-1)56-51-24-10-7-20-47(51)48-21-8-11-25-52(48)57(56)40-31-35-43(36-32-40)59(54-37-41-17-4-5-18-44(41)46-19-6-9-22-49(46)54)42-33-29-38(30-34-42)45-26-14-27-53-50-23-12-13-28-55(50)60-58(45)53;1-2-15-39(16-3-1)56-50-23-10-7-20-47(50)48-21-8-11-24-51(48)57(56)40-31-35-43(36-32-40)59(53-37-41-17-4-5-18-44(41)46-19-6-9-22-49(46)53)42-33-29-38(30-34-42)45-26-14-28-55-58(45)52-25-12-13-27-54(52)60-55;1-3-17-40(18-4-1)47-22-9-10-23-48(47)41-31-35-45(36-32-41)59(56-39-44-21-7-8-24-49(44)50-25-11-14-28-53(50)56)46-37-33-43(34-38-46)58-55-30-16-13-27-52(55)51-26-12-15-29-54(51)57(58)42-19-5-2-6-20-42/h2*1-37H;1-39H/i2*29D,30D,33D,34D;31D,32D,35D,36D
InChIKeyMQPPIYYQBLIVJT-FFCUNBTISA-N
MW2289.91 g/mol
LogP49.78
Rot. Bonds19

About N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine

N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 163783500) has the molecular formula C174H113N3O2 and a molecular weight of 2289.91 g/mol. Its IUPAC name is N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID163783500
Molecular FormulaC174H113N3O2
Molecular Weight2289.91 g/mol
Exact Mass2287.96
IUPAC NameN-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1ccccc1-c1ccccc1
InChIInChI=1S/2C58H37NO.C58H39N/c1-2-15-39(16-3-1)56-51-24-10-7-20-47(51)48-21-8-11-25-52(48)57(56)40-31-35-43(36-32-40)59(54-37-41-17-4-5-18-44(41)46-19-6-9-22-49(46)54)42-33-29-38(30-34-42)45-26-14-27-53-50-23-12-13-28-55(50)60-58(45)53;1-2-15-39(16-3-1)56-50-23-10-7-20-47(50)48-21-8-11-24-51(48)57(56)40-31-35-43(36-32-40)59(53-37-41-17-4-5-18-44(41)46-19-6-9-22-49(46)53)42-33-29-38(30-34-42)45-26-14-28-55-58(45)52-25-12-13-27-54(52)60-55;1-3-17-40(18-4-1)47-22-9-10-23-48(47)41-31-35-45(36-32-41)59(56-39-44-21-7-8-24-49(44)50-25-11-14-28-53(50)56)46-37-33-43(34-38-46)58-55-30-16-13-27-52(55)51-26-12-15-29-54(51)57(58)42-19-5-2-6-20-42/h2*1-37H;1-39H/i2*29D,30D,33D,34D;31D,32D,35D,36D
InChIKeyMQPPIYYQBLIVJT-FFCUNBTISA-N
XLogP49.78
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002289.91
LogP ≤ 549.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine with MolForge

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Related Compounds

N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163761813
N-(4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 162481227
N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
2,3,5,6-tetradeuterio-N-(2-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452589
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303613
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676895
N-(4-carbazol-9-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 163557308
N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 170134082

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine (CID 163783500) is N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine is [2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)c([2H])c([2H])c1-c1ccccc1-c1ccccc1.
What is the InChIKey of N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is MQPPIYYQBLIVJT-FFCUNBTISA-N. The full InChI is InChI=1S/2C58H37NO.C58H39N/c1-2-15-39(16-3-1)56-51-24-10-7-20-47(51)48-21-8-11-25-52(48)57(56)40-31-35-43(36-32-40)59(54-37-41-17-4-5-18-44(41)46-19-6-9-22-49(46)54)42-33-29-38(30-34-42)45-26-14-27-53-50-23-12-13-28-55(50)60-58(45)53;1-2-15-39(16-3-1)56-50-23-10-7-20-47(50)48-21-8-11-24-51(48)57(56)40-31-35-43(36-32-40)59(53-37-41-17-4-5-18-44(41)46-19-6-9-22-49(46)53)42-33-29-38(30-34-42)45-26-14-28-55-58(45)52-25-12-13-27-54(52)60-55;1-3-17-40(18-4-1)47-22-9-10-23-48(47)41-31-35-45(36-32-41)59(56-39-44-21-7-8-24-49(44)50-25-11-14-28-53(50)56)46-37-33-43(34-38-46)58-55-30-16-13-27-52(55)51-26-12-15-29-54(51)57(58)42-19-5-2-6-20-42/h2*1-37H;1-39H/i2*29D,30D,33D,34D;31D,32D,35D,36D.
What are the key properties of N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 2289.91 g/mol, XLogP of 49.78, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)phenanthren-9-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 163783500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).