N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine

C64H43N — CID 143535626

IUPACN-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
SMILESC=Cc1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1C=C
InChIInChI=1S/C64H43N/c1-3-42-30-33-48(38-43(42)4-2)62-55-26-14-16-28-58(55)64(59-29-17-15-27-56(59)62)65(51-22-6-5-7-23-51)52-36-37-57-60(41-52)63(50-35-32-45-19-9-11-21-47(45)40-50)54-25-13-12-24-53(54)61(57)49-34-31-44-18-8-10-20-46(44)39-49/h3-41H,1-2H2
InChIKeyMCUHLYAIZSIFIY-UHFFFAOYSA-N
MW826.05 g/mol
LogP18.36
Rot. Bonds8

About N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine

N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine (PubChem CID 143535626) has the molecular formula C64H43N and a molecular weight of 826.05 g/mol. Its IUPAC name is N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine.

Molecular Properties

Compound NameN-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
PubChem CID143535626
Molecular FormulaC64H43N
Molecular Weight826.05 g/mol
Exact Mass825.34
IUPAC NameN-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
SMILESC=Cc1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1C=C
InChIInChI=1S/C64H43N/c1-3-42-30-33-48(38-43(42)4-2)62-55-26-14-16-28-58(55)64(59-29-17-15-27-56(59)62)65(51-22-6-5-7-23-51)52-36-37-57-60(41-52)63(50-35-32-45-19-9-11-21-47(45)40-50)54-25-13-12-24-53(54)61(57)49-34-31-44-18-8-10-20-46(44)39-49/h3-41H,1-2H2
InChIKeyMCUHLYAIZSIFIY-UHFFFAOYSA-N
XLogP18.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.05
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,10-dinaphthalen-2-yl-N-phenyl-N-[10-[4-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]anthracen-2-amine
CID 58963549
9,10-dinaphthalen-2-yl-N-(10-naphthalen-2-ylanthracen-9-yl)-N-[4-[(E)-2-phenylethenyl]phenyl]anthracen-2-amine
CID 58963382
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
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
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200
2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143617537
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
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
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162

Frequently Asked Questions

What is the IUPAC name of N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
The IUPAC name of N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine (CID 143535626) is N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine.
What is the SMILES notation for N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
The canonical SMILES for N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine is C=Cc1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1C=C.
What is the InChIKey of N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
The InChIKey is MCUHLYAIZSIFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-3-42-30-33-48(38-43(42)4-2)62-55-26-14-16-28-58(55)64(59-29-17-15-27-56(59)62)65(51-22-6-5-7-23-51)52-36-37-57-60(41-52)63(50-35-32-45-19-9-11-21-47(45)40-50)54-25-13-12-24-53(54)61(57)49-34-31-44-18-8-10-20-46(44)39-49/h3-41H,1-2H2.
What are the key properties of N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine has a molecular weight of 826.05 g/mol, XLogP of 18.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine is sourced from PubChem (CID 143535626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).