N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C172H115N3 — CID 163719367

IUPACN,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)c2)cc1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)ccc2c1
InChIInChI=1S/2C58H39N.C56H37N/c1-2-9-40(10-3-1)46-13-8-14-47(37-46)41-21-29-52(30-22-41)59(53-31-23-42(24-32-53)48-27-35-57-50(38-48)19-17-44-11-4-6-15-55(44)57)54-33-25-43(26-34-54)49-28-36-58-51(39-49)20-18-45-12-5-7-16-56(45)58;1-2-8-40(9-3-1)41-14-16-42(17-15-41)43-22-30-52(31-23-43)59(53-32-24-44(25-33-53)48-28-36-57-50(38-48)20-18-46-10-4-6-12-55(46)57)54-34-26-45(27-35-54)49-29-37-58-51(39-49)21-19-47-11-5-7-13-56(47)58;1-2-10-44-35-45(16-13-38(44)7-1)39-19-27-50(28-20-39)57(51-29-21-40(22-30-51)46-25-33-55-48(36-46)17-14-42-8-3-5-11-53(42)55)52-31-23-41(24-32-52)47-26-34-56-49(37-47)18-15-43-9-4-6-12-54(43)56/h2*1-39H;1-37H
InChIKeyKQECATXBQCBBFU-UHFFFAOYSA-N
MW2223.83 g/mol
LogP48.80
Rot. Bonds20

About N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 163719367) has the molecular formula C172H115N3 and a molecular weight of 2223.83 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID163719367
Molecular FormulaC172H115N3
Molecular Weight2223.83 g/mol
Exact Mass2221.91
IUPAC NameN,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)c2)cc1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)ccc2c1
InChIInChI=1S/2C58H39N.C56H37N/c1-2-9-40(10-3-1)46-13-8-14-47(37-46)41-21-29-52(30-22-41)59(53-31-23-42(24-32-53)48-27-35-57-50(38-48)19-17-44-11-4-6-15-55(44)57)54-33-25-43(26-34-54)49-28-36-58-51(39-49)20-18-45-12-5-7-16-56(45)58;1-2-8-40(9-3-1)41-14-16-42(17-15-41)43-22-30-52(31-23-43)59(53-32-24-44(25-33-53)48-28-36-57-50(38-48)20-18-46-10-4-6-12-55(46)57)54-34-26-45(27-35-54)49-29-37-58-51(39-49)21-19-47-11-5-7-13-56(47)58;1-2-10-44-35-45(16-13-38(44)7-1)39-19-27-50(28-20-39)57(51-29-21-40(22-30-51)46-25-33-55-48(36-46)17-14-42-8-3-5-11-53(42)55)52-31-23-41(24-32-52)47-26-34-56-49(37-47)18-15-43-9-4-6-12-54(43)56/h2*1-39H;1-37H
InChIKeyKQECATXBQCBBFU-UHFFFAOYSA-N
XLogP48.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002223.83
LogP ≤ 548.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 163719367) is N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)c2)cc1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)cc3)ccc2c1.
What is the InChIKey of N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is KQECATXBQCBBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H39N.C56H37N/c1-2-9-40(10-3-1)46-13-8-14-47(37-46)41-21-29-52(30-22-41)59(53-31-23-42(24-32-53)48-27-35-57-50(38-48)19-17-44-11-4-6-15-55(44)57)54-33-25-43(26-34-54)49-28-36-58-51(39-49)20-18-45-12-5-7-16-56(45)58;1-2-8-40(9-3-1)41-14-16-42(17-15-41)43-22-30-52(31-23-43)59(53-32-24-44(25-33-53)48-28-36-57-50(38-48)20-18-46-10-4-6-12-55(46)57)54-34-26-45(27-35-54)49-29-37-58-51(39-49)21-19-47-11-5-7-13-56(47)58;1-2-10-44-35-45(16-13-38(44)7-1)39-19-27-50(28-20-39)57(51-29-21-40(22-30-51)46-25-33-55-48(36-46)17-14-42-8-3-5-11-53(42)55)52-31-23-41(24-32-52)47-26-34-56-49(37-47)18-15-43-9-4-6-12-54(43)56/h2*1-39H;1-37H.
What are the key properties of N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 2223.83 g/mol, XLogP of 48.80, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 163719367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).