9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine

C194H132N6 — CID 157087536

IUPAC9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc34)ccc2c1
InChIInChI=1S/C74H48N2.C62H44N2.C58H40N2/c1-5-21-55-43-59(33-31-49(55)15-1)73-67-41-39-64(76(62-38-36-52-18-4-8-24-58(52)46-62)72-30-14-26-54-20-10-12-28-66(54)72)48-70(67)74(60-34-32-50-16-2-6-22-56(50)44-60)68-42-40-63(47-69(68)73)75(61-37-35-51-17-3-7-23-57(51)45-61)71-29-13-25-53-19-9-11-27-65(53)71;1-5-17-45(18-6-1)49-29-37-53(38-30-49)63(54-39-31-50(32-40-54)46-19-7-2-8-20-46)61-57-25-13-15-27-59(57)62(60-28-16-14-26-58(60)61)64(55-41-33-51(34-42-55)47-21-9-3-10-22-47)56-43-35-52(36-44-56)48-23-11-4-12-24-48;1-3-15-41(16-4-1)45-27-33-49(34-28-45)59(51-37-31-43-19-7-9-21-47(43)39-51)57-53-23-11-13-25-55(53)58(56-26-14-12-24-54(56)57)60(52-38-32-44-20-8-10-22-48(44)40-52)50-35-29-46(30-36-50)42-17-5-2-6-18-42/h1-48H;1-44H;1-40H
InChIKeyAEGPQZQVSXEWGM-UHFFFAOYSA-N
MW2547.23 g/mol
LogP55.36
Rot. Bonds26

About 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine

9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine (PubChem CID 157087536) has the molecular formula C194H132N6 and a molecular weight of 2547.23 g/mol. Its IUPAC name is 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
PubChem CID157087536
Molecular FormulaC194H132N6
Molecular Weight2547.23 g/mol
Exact Mass2545.05
IUPAC Name9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc34)ccc2c1
InChIInChI=1S/C74H48N2.C62H44N2.C58H40N2/c1-5-21-55-43-59(33-31-49(55)15-1)73-67-41-39-64(76(62-38-36-52-18-4-8-24-58(52)46-62)72-30-14-26-54-20-10-12-28-66(54)72)48-70(67)74(60-34-32-50-16-2-6-22-56(50)44-60)68-42-40-63(47-69(68)73)75(61-37-35-51-17-3-7-23-57(51)45-61)71-29-13-25-53-19-9-11-27-65(53)71;1-5-17-45(18-6-1)49-29-37-53(38-30-49)63(54-39-31-50(32-40-54)46-19-7-2-8-20-46)61-57-25-13-15-27-59(57)62(60-28-16-14-26-58(60)61)64(55-41-33-51(34-42-55)47-21-9-3-10-22-47)56-43-35-52(36-44-56)48-23-11-4-12-24-48;1-3-15-41(16-4-1)45-27-33-49(34-28-45)59(51-37-31-43-19-7-9-21-47(43)39-51)57-53-23-11-13-25-55(53)58(56-26-14-12-24-54(56)57)60(52-38-32-44-20-8-10-22-48(44)40-52)50-35-29-46(30-36-50)42-17-5-2-6-18-42/h1-48H;1-44H;1-40H
InChIKeyAEGPQZQVSXEWGM-UHFFFAOYSA-N
XLogP55.36
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002547.23
LogP ≤ 555.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine with MolForge

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Related Compounds

2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine
CID 59766176
N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
CID 58758001
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
9,10-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
CID 90194158
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine (CID 157087536) is 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc34)ccc2c1.
What is the InChIKey of 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine?
The InChIKey is AEGPQZQVSXEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2.C62H44N2.C58H40N2/c1-5-21-55-43-59(33-31-49(55)15-1)73-67-41-39-64(76(62-38-36-52-18-4-8-24-58(52)46-62)72-30-14-26-54-20-10-12-28-66(54)72)48-70(67)74(60-34-32-50-16-2-6-22-56(50)44-60)68-42-40-63(47-69(68)73)75(61-37-35-51-17-3-7-23-57(51)45-61)71-29-13-25-53-19-9-11-27-65(53)71;1-5-17-45(18-6-1)49-29-37-53(38-30-49)63(54-39-31-50(32-40-54)46-19-7-2-8-20-46)61-57-25-13-15-27-59(57)62(60-28-16-14-26-58(60)61)64(55-41-33-51(34-42-55)47-21-9-3-10-22-47)56-43-35-52(36-44-56)48-23-11-4-12-24-48;1-3-15-41(16-4-1)45-27-33-49(34-28-45)59(51-37-31-43-19-7-9-21-47(43)39-51)57-53-23-11-13-25-55(53)58(56-26-14-12-24-54(56)57)60(52-38-32-44-20-8-10-22-48(44)40-52)50-35-29-46(30-36-50)42-17-5-2-6-18-42/h1-48H;1-44H;1-40H.
What are the key properties of 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine?
9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine has a molecular weight of 2547.23 g/mol, XLogP of 55.36, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 157087536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).