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

C108H74N4 — CID 134490814

IUPAC9-[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
SMILESc1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccc5cc(-c6c7ccc(N(c8ccccc8)c8ccccc8)cc7c(-c7ccc8ccccc8c7)c7ccc(N(c8ccccc8)c8ccccc8)cc67)ccc5c4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C108H74N4/c1-10-31-77(32-11-1)105-97-64-60-94(110(87-38-16-4-17-39-87)88-40-18-5-19-41-88)72-102(97)106(98-65-61-93(71-101(98)105)109(85-34-12-2-13-35-85)86-36-14-3-15-37-86)78-53-50-76(51-54-78)80-55-56-82-70-84(59-57-81(82)68-80)108-100-67-63-95(111(89-42-20-6-21-43-89)90-44-22-7-23-45-90)73-103(100)107(83-58-52-75-30-28-29-33-79(75)69-83)99-66-62-96(74-104(99)108)112(91-46-24-8-25-47-91)92-48-26-9-27-49-92/h1-74H
InChIKeyHNFMJUVHUNQLFX-UHFFFAOYSA-N
MW1427.81 g/mol
LogP30.82
Rot. Bonds17

About 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

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 (PubChem CID 134490814) has the molecular formula C108H74N4 and a molecular weight of 1427.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID134490814
Molecular FormulaC108H74N4
Molecular Weight1427.81 g/mol
Exact Mass1426.59
IUPAC Name9-[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
SMILESc1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccc5cc(-c6c7ccc(N(c8ccccc8)c8ccccc8)cc7c(-c7ccc8ccccc8c7)c7ccc(N(c8ccccc8)c8ccccc8)cc67)ccc5c4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C108H74N4/c1-10-31-77(32-11-1)105-97-64-60-94(110(87-38-16-4-17-39-87)88-40-18-5-19-41-88)72-102(97)106(98-65-61-93(71-101(98)105)109(85-34-12-2-13-35-85)86-36-14-3-15-37-86)78-53-50-76(51-54-78)80-55-56-82-70-84(59-57-81(82)68-80)108-100-67-63-95(111(89-42-20-6-21-43-89)90-44-22-7-23-45-90)73-103(100)107(83-58-52-75-30-28-29-33-79(75)69-83)99-66-62-96(74-104(99)108)112(91-46-24-8-25-47-91)92-48-26-9-27-49-92/h1-74H
InChIKeyHNFMJUVHUNQLFX-UHFFFAOYSA-N
XLogP30.82
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.81
LogP ≤ 530.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
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-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccc5cc(-c6c7ccc(N(c8ccccc8)c8ccccc8)cc7c(-c7ccc8ccccc8c7)c7ccc(N(c8ccccc8)c8ccccc8)cc67)ccc5c4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is HNFMJUVHUNQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H74N4/c1-10-31-77(32-11-1)105-97-64-60-94(110(87-38-16-4-17-39-87)88-40-18-5-19-41-88)72-102(97)106(98-65-61-93(71-101(98)105)109(85-34-12-2-13-35-85)86-36-14-3-15-37-86)78-53-50-76(51-54-78)80-55-56-82-70-84(59-57-81(82)68-80)108-100-67-63-95(111(89-42-20-6-21-43-89)90-44-22-7-23-45-90)73-103(100)107(83-58-52-75-30-28-29-33-79(75)69-83)99-66-62-96(74-104(99)108)112(91-46-24-8-25-47-91)92-48-26-9-27-49-92/h1-74H.
What are the key properties of 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?
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 has a molecular weight of 1427.81 g/mol, XLogP of 30.82, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134490814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).