9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine

C64H45N3 — CID 90194200

IUPAC9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
SMILESc1ccc(-c2c3cc(N(c4ccccc4)c4ccccc4)ccc3c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C64H45N3/c1-6-22-48(23-7-1)63-59-40-38-58(66(53-30-12-4-13-31-53)54-32-14-5-15-33-54)45-62(59)64(60-41-39-57(44-61(60)63)65(51-26-8-2-9-27-51)52-28-10-3-11-29-52)67(55-36-34-46-20-16-18-24-49(46)42-55)56-37-35-47-21-17-19-25-50(47)43-56/h1-45H
InChIKeyPOFCWVZXMZSRIT-UHFFFAOYSA-N
MW856.09 g/mol
LogP18.38
Rot. Bonds10

About 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine

9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine (PubChem CID 90194200) has the molecular formula C64H45N3 and a molecular weight of 856.09 g/mol. Its IUPAC name is 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine.

Molecular Properties

Compound Name9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
PubChem CID90194200
Molecular FormulaC64H45N3
Molecular Weight856.09 g/mol
Exact Mass855.36
IUPAC Name9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
SMILESc1ccc(-c2c3cc(N(c4ccccc4)c4ccccc4)ccc3c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C64H45N3/c1-6-22-48(23-7-1)63-59-40-38-58(66(53-30-12-4-13-31-53)54-32-14-5-15-33-54)45-62(59)64(60-41-39-57(44-61(60)63)65(51-26-8-2-9-27-51)52-28-10-3-11-29-52)67(55-36-34-46-20-16-18-24-49(46)42-55)56-37-35-47-21-17-19-25-50(47)43-56/h1-45H
InChIKeyPOFCWVZXMZSRIT-UHFFFAOYSA-N
XLogP18.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.09
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 143986181
4-[6-(N-naphthalen-2-ylanilino)-10-phenyl-2-(N-phenylanilino)anthracen-9-yl]benzonitrile
CID 89061094
9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine
CID 58963549

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine?
The IUPAC name of 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine (CID 90194200) is 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine.
What is the SMILES notation for 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine?
The canonical SMILES for 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine is c1ccc(-c2c3cc(N(c4ccccc4)c4ccccc4)ccc3c(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.
What is the InChIKey of 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine?
The InChIKey is POFCWVZXMZSRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N3/c1-6-22-48(23-7-1)63-59-40-38-58(66(53-30-12-4-13-31-53)54-32-14-5-15-33-54)45-62(59)64(60-41-39-57(44-61(60)63)65(51-26-8-2-9-27-51)52-28-10-3-11-29-52)67(55-36-34-46-20-16-18-24-49(46)42-55)56-37-35-47-21-17-19-25-50(47)43-56/h1-45H.
What are the key properties of 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine?
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine has a molecular weight of 856.09 g/mol, XLogP of 18.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine is sourced from PubChem (CID 90194200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).