2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene

C130H86 — CID 158610723

IUPAC2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
SMILESc1ccc(-c2c3ccc(-c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/2C46H30.C38H26/c1-3-13-33(14-4-1)45-41-25-23-40(38-22-20-32-12-8-10-18-36(32)28-38)30-44(41)46(34-15-5-2-6-16-34)42-26-24-39(29-43(42)45)37-21-19-31-11-7-9-17-35(31)27-37;1-3-11-31(12-4-1)37-23-25-41-43(29-37)45(39-21-19-33-15-7-9-17-35(33)27-39)42-26-24-38(32-13-5-2-6-14-32)30-44(42)46(41)40-22-20-34-16-8-10-18-36(34)28-40;1-5-13-27(14-6-1)31-21-23-33-35(25-31)37(29-17-9-3-10-18-29)34-24-22-32(28-15-7-2-8-16-28)26-36(34)38(33)30-19-11-4-12-20-30/h2*1-30H;1-26H
InChIKeyHWUNMGGHEOJVSY-UHFFFAOYSA-N
MW1648.12 g/mol
LogP36.60
Rot. Bonds12

About 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene

2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene (PubChem CID 158610723) has the molecular formula C130H86 and a molecular weight of 1648.12 g/mol. Its IUPAC name is 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene.

Molecular Properties

Compound Name2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
PubChem CID158610723
Molecular FormulaC130H86
Molecular Weight1648.12 g/mol
Exact Mass1646.67
IUPAC Name2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
SMILESc1ccc(-c2c3ccc(-c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/2C46H30.C38H26/c1-3-13-33(14-4-1)45-41-25-23-40(38-22-20-32-12-8-10-18-36(32)28-38)30-44(41)46(34-15-5-2-6-16-34)42-26-24-39(29-43(42)45)37-21-19-31-11-7-9-17-35(31)27-37;1-3-11-31(12-4-1)37-23-25-41-43(29-37)45(39-21-19-33-15-7-9-17-35(33)27-39)42-26-24-38(32-13-5-2-6-14-32)30-44(42)46(41)40-22-20-34-16-8-10-18-36(34)28-40;1-5-13-27(14-6-1)31-21-23-33-35(25-31)37(29-17-9-3-10-18-29)34-24-22-32(28-15-7-2-8-16-28)26-36(34)38(33)30-19-11-4-12-20-30/h2*1-30H;1-26H
InChIKeyHWUNMGGHEOJVSY-UHFFFAOYSA-N
XLogP36.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001648.12
LogP ≤ 536.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene?
The IUPAC name of 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene (CID 158610723) is 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene.
What is the SMILES notation for 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene?
The canonical SMILES for 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene is c1ccc(-c2c3ccc(-c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene?
The InChIKey is HWUNMGGHEOJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H30.C38H26/c1-3-13-33(14-4-1)45-41-25-23-40(38-22-20-32-12-8-10-18-36(32)28-38)30-44(41)46(34-15-5-2-6-16-34)42-26-24-39(29-43(42)45)37-21-19-31-11-7-9-17-35(31)27-37;1-3-11-31(12-4-1)37-23-25-41-43(29-37)45(39-21-19-33-15-7-9-17-35(33)27-39)42-26-24-38(32-13-5-2-6-14-32)30-44(42)46(41)40-22-20-34-16-8-10-18-36(34)28-40;1-5-13-27(14-6-1)31-21-23-33-35(25-31)37(29-17-9-3-10-18-29)34-24-22-32(28-15-7-2-8-16-28)26-36(34)38(33)30-19-11-4-12-20-30/h2*1-30H;1-26H.
What are the key properties of 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene?
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene has a molecular weight of 1648.12 g/mol, XLogP of 36.60, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene is sourced from PubChem (CID 158610723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).