9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine

C78H54N2 — CID 59766228

IUPAC9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C78H54N2/c1-6-19-55(20-7-1)59-33-41-65(42-34-59)79(66-43-35-60(36-44-66)56-21-8-2-9-22-56)69-50-52-74-75(53-69)77(64-28-14-5-15-29-64)73-51-49-70(54-76(73)78(74)72-32-18-30-63-27-16-17-31-71(63)72)80(67-45-37-61(38-46-67)57-23-10-3-11-24-57)68-47-39-62(40-48-68)58-25-12-4-13-26-58/h1-54H
InChIKeyZDELXMBEWPNNIJ-UHFFFAOYSA-N
MW1019.30 g/mol
LogP22.09
Rot. Bonds12

About 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine

9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 59766228) has the molecular formula C78H54N2 and a molecular weight of 1019.30 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID59766228
Molecular FormulaC78H54N2
Molecular Weight1019.30 g/mol
Exact Mass1018.43
IUPAC Name9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C78H54N2/c1-6-19-55(20-7-1)59-33-41-65(42-34-59)79(66-43-35-60(36-44-66)56-21-8-2-9-22-56)69-50-52-74-75(53-69)77(64-28-14-5-15-29-64)73-51-49-70(54-76(73)78(74)72-32-18-30-63-27-16-17-31-71(63)72)80(67-45-37-61(38-46-67)57-23-10-3-11-24-57)68-47-39-62(40-48-68)58-25-12-4-13-26-58/h1-54H
InChIKeyZDELXMBEWPNNIJ-UHFFFAOYSA-N
XLogP22.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.30
LogP ≤ 522.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
CID 90336189
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine (CID 59766228) is 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is ZDELXMBEWPNNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2/c1-6-19-55(20-7-1)59-33-41-65(42-34-59)79(66-43-35-60(36-44-66)56-21-8-2-9-22-56)69-50-52-74-75(53-69)77(64-28-14-5-15-29-64)73-51-49-70(54-76(73)78(74)72-32-18-30-63-27-16-17-31-71(63)72)80(67-45-37-61(38-46-67)57-23-10-3-11-24-57)68-47-39-62(40-48-68)58-25-12-4-13-26-58/h1-54H.
What are the key properties of 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 1019.30 g/mol, XLogP of 22.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 59766228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).