9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine

C199H137N9 — CID 157289355

IUPAC9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccc(-c5ccccc5)cc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccnc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4c5ccccc5c(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6nccc7ccccc67)cc5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C77H51N3.C74H52N2.C48H34N4/c1-5-23-64-52(16-1)20-13-31-67(64)56-34-42-60(43-35-56)79(61-44-36-57(37-45-61)68-32-14-21-53-17-2-6-24-65(53)68)76-71-27-9-11-29-73(71)77(74-30-12-10-28-72(74)76)80(62-46-38-58(39-47-62)69-33-15-22-54-18-3-7-25-66(54)69)63-48-40-59(41-49-63)75-70-26-8-4-19-55(70)50-51-78-75;1-7-19-53(20-8-1)59-31-41-65(42-32-59)75(66-43-33-60(34-44-66)54-21-9-2-10-22-54)73-69-49-39-64(58-29-17-6-18-30-58)52-72(69)74(70-50-40-63(51-71(70)73)57-27-15-5-16-28-57)76(67-45-35-61(36-46-67)55-23-11-3-12-24-55)68-47-37-62(38-48-68)56-25-13-4-14-26-56;1-3-13-35(14-4-1)37-23-27-39(28-24-37)51(41-17-11-31-49-33-41)47-43-19-7-9-21-45(43)48(46-22-10-8-20-44(46)47)52(42-18-12-32-50-34-42)40-29-25-38(26-30-40)36-15-5-2-6-16-36/h1-51H;1-52H;1-34H
InChIKeyBAPTVHVXHIFRKX-UHFFFAOYSA-N
MW2654.35 g/mol
LogP55.60
Rot. Bonds30

About 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine

9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine (PubChem CID 157289355) has the molecular formula C199H137N9 and a molecular weight of 2654.35 g/mol. Its IUPAC name is 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine
PubChem CID157289355
Molecular FormulaC199H137N9
Molecular Weight2654.35 g/mol
Exact Mass2652.10
IUPAC Name9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccc(-c5ccccc5)cc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccnc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4c5ccccc5c(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6nccc7ccccc67)cc5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C77H51N3.C74H52N2.C48H34N4/c1-5-23-64-52(16-1)20-13-31-67(64)56-34-42-60(43-35-56)79(61-44-36-57(37-45-61)68-32-14-21-53-17-2-6-24-65(53)68)76-71-27-9-11-29-73(71)77(74-30-12-10-28-72(74)76)80(62-46-38-58(39-47-62)69-33-15-22-54-18-3-7-25-66(54)69)63-48-40-59(41-49-63)75-70-26-8-4-19-55(70)50-51-78-75;1-7-19-53(20-8-1)59-31-41-65(42-32-59)75(66-43-33-60(34-44-66)54-21-9-2-10-22-54)73-69-49-39-64(58-29-17-6-18-30-58)52-72(69)74(70-50-40-63(51-71(70)73)57-27-15-5-16-28-57)76(67-45-35-61(36-46-67)55-23-11-3-12-24-55)68-47-37-62(38-48-68)56-25-13-4-14-26-56;1-3-13-35(14-4-1)37-23-27-39(28-24-37)51(41-17-11-31-49-33-41)47-43-19-7-9-21-45(43)48(46-22-10-8-20-44(46)47)52(42-18-12-32-50-34-42)40-29-25-38(26-30-40)36-15-5-2-6-16-36/h1-51H;1-52H;1-34H
InChIKeyBAPTVHVXHIFRKX-UHFFFAOYSA-N
XLogP55.60
TPSA58.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms208
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002654.35
LogP ≤ 555.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine with MolForge

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Related Compounds

9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
CID 123403469
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
N-[4-(4-methyl-3-naphthalen-1-ylphenyl)phenyl]-N-phenylpyridin-3-amine
CID 166713985
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;tetrakis(iridium);3-[3-(3-isoquinolin-1-ylbenzene-4-id-1-yl)phenyl]-N,N,5-triphenylaniline;1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;tetrakis(1-phenylisoquinoline)
CID 158411565
2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(3-phenylphenyl)naphthalen-2-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(4-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158319710
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine (CID 157289355) is 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccc(-c5ccccc5)cc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccnc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4c5ccccc5c(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6nccc7ccccc67)cc5)c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine?
The InChIKey is BAPTVHVXHIFRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H51N3.C74H52N2.C48H34N4/c1-5-23-64-52(16-1)20-13-31-67(64)56-34-42-60(43-35-56)79(61-44-36-57(37-45-61)68-32-14-21-53-17-2-6-24-65(53)68)76-71-27-9-11-29-73(71)77(74-30-12-10-28-72(74)76)80(62-46-38-58(39-47-62)69-33-15-22-54-18-3-7-25-66(54)69)63-48-40-59(41-49-63)75-70-26-8-4-19-55(70)50-51-78-75;1-7-19-53(20-8-1)59-31-41-65(42-32-59)75(66-43-33-60(34-44-66)54-21-9-2-10-22-54)73-69-49-39-64(58-29-17-6-18-30-58)52-72(69)74(70-50-40-63(51-71(70)73)57-27-15-5-16-28-57)76(67-45-35-61(36-46-67)55-23-11-3-12-24-55)68-47-37-62(38-48-68)56-25-13-4-14-26-56;1-3-13-35(14-4-1)37-23-27-39(28-24-37)51(41-17-11-31-49-33-41)47-43-19-7-9-21-45(43)48(46-22-10-8-20-44(46)47)52(42-18-12-32-50-34-42)40-29-25-38(26-30-40)36-15-5-2-6-16-36/h1-51H;1-52H;1-34H.
What are the key properties of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine?
9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine has a molecular weight of 2654.35 g/mol, XLogP of 55.60, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 157289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).