2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine

C108H76N4 — CID 159869915

IUPAC2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
SMILESc1ccc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)cc1.c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C58H40N2.C50H36N2/c1-5-21-43(22-6-1)57-51-37-35-48(60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56)40-54(51)58(44-23-7-2-8-24-44)52-38-36-47(39-53(52)57)59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55;1-7-19-37(20-8-1)49-45-33-31-44(52(41-27-15-5-16-28-41)42-29-17-6-18-30-42)36-48(45)50(38-21-9-2-10-22-38)46-34-32-43(35-47(46)49)51(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h1-40H;1-36H
InChIKeyNSFBQPRUHDZULZ-UHFFFAOYSA-N
MW1429.82 g/mol
LogP30.84
Rot. Bonds16

About 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine

2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine (PubChem CID 159869915) has the molecular formula C108H76N4 and a molecular weight of 1429.82 g/mol. Its IUPAC name is 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
PubChem CID159869915
Molecular FormulaC108H76N4
Molecular Weight1429.82 g/mol
Exact Mass1428.61
IUPAC Name2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
SMILESc1ccc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)cc1.c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C58H40N2.C50H36N2/c1-5-21-43(22-6-1)57-51-37-35-48(60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56)40-54(51)58(44-23-7-2-8-24-44)52-38-36-47(39-53(52)57)59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55;1-7-19-37(20-8-1)49-45-33-31-44(52(41-27-15-5-16-28-41)42-29-17-6-18-30-42)36-48(45)50(38-21-9-2-10-22-38)46-34-32-43(35-47(46)49)51(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h1-40H;1-36H
InChIKeyNSFBQPRUHDZULZ-UHFFFAOYSA-N
XLogP30.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.82
LogP ≤ 530.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-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
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
CID 59987787
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063313
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 160961200
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
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-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine (CID 159869915) is 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine is c1ccc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)cc1.c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine?
The InChIKey is NSFBQPRUHDZULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2.C50H36N2/c1-5-21-43(22-6-1)57-51-37-35-48(60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56)40-54(51)58(44-23-7-2-8-24-44)52-38-36-47(39-53(52)57)59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55;1-7-19-37(20-8-1)49-45-33-31-44(52(41-27-15-5-16-28-41)42-29-17-6-18-30-42)36-48(45)50(38-21-9-2-10-22-38)46-34-32-43(35-47(46)49)51(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h1-40H;1-36H.
What are the key properties of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine?
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine has a molecular weight of 1429.82 g/mol, XLogP of 30.84, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine is sourced from PubChem (CID 159869915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).